(1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine

C25H26ClN5S — CID 28626465

IUPAC(1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine
SMILESClc1ccccc1CN(Cc1ccccc1)[C@H](c1cccs1)c1nnnn1C1CCCC1
InChIInChI=1S/C25H26ClN5S/c26-22-14-7-4-11-20(22)18-30(17-19-9-2-1-3-10-19)24(23-15-8-16-32-23)25-27-28-29-31(25)21-12-5-6-13-21/h1-4,7-11,14-16,21,24H,5-6,12-13,17-18H2/t24-/m1/s1
InChIKeyMFROXXGQCVJDFE-XMMPIXPASA-N
MW464.04 g/mol
LogP6.29
Rot. Bonds8

About (1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine

(1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine (PubChem CID 28626465) has the molecular formula C25H26ClN5S and a molecular weight of 464.04 g/mol. Its IUPAC name is (1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine
PubChem CID28626465
Molecular FormulaC25H26ClN5S
Molecular Weight464.04 g/mol
Exact Mass463.16
IUPAC Name(1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine
SMILESClc1ccccc1CN(Cc1ccccc1)[C@H](c1cccs1)c1nnnn1C1CCCC1
InChIInChI=1S/C25H26ClN5S/c26-22-14-7-4-11-20(22)18-30(17-19-9-2-1-3-10-19)24(23-15-8-16-32-23)25-27-28-29-31(25)21-12-5-6-13-21/h1-4,7-11,14-16,21,24H,5-6,12-13,17-18H2/t24-/m1/s1
InChIKeyMFROXXGQCVJDFE-XMMPIXPASA-N
XLogP6.29
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.04
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine with MolForge

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Related Compounds

N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine
CID 3193673
(1R)-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
CID 1439031
3-[[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3149965
1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine
CID 21156850
3-[(R)-[benzyl-[(4-chlorophenyl)methyl]amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 97289197
(1S)-N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 1438997
4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine
CID 1438561
(1R)-N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 1438756
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[2-phenylethyl(thiophen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1074129
4-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholin-4-ium
CID 7140874
3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 1146837
7-[(S)-[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1074642

Frequently Asked Questions

What is the IUPAC name of (1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine?
The IUPAC name of (1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine (CID 28626465) is (1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for (1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for (1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine is Clc1ccccc1CN(Cc1ccccc1)[C@H](c1cccs1)c1nnnn1C1CCCC1.
What is the InChIKey of (1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine?
The InChIKey is MFROXXGQCVJDFE-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26ClN5S/c26-22-14-7-4-11-20(22)18-30(17-19-9-2-1-3-10-19)24(23-15-8-16-32-23)25-27-28-29-31(25)21-12-5-6-13-21/h1-4,7-11,14-16,21,24H,5-6,12-13,17-18H2/t24-/m1/s1.
What are the key properties of (1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine?
(1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine has a molecular weight of 464.04 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 28626465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).