1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine

C23H25N5S2 — CID 21156850

IUPAC1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine
SMILESNC(Cc1ccccc1)(c1cccs1)C(c1cccs1)c1nnnn1C1CCCC1
InChIInChI=1S/C23H25N5S2/c24-23(20-13-7-15-30-20,16-17-8-2-1-3-9-17)21(19-12-6-14-29-19)22-25-26-27-28(22)18-10-4-5-11-18/h1-3,6-9,12-15,18,21H,4-5,10-11,16,24H2
InChIKeyDZQQYDMLEGSFSH-UHFFFAOYSA-N
MW435.62 g/mol
LogP5.14
Rot. Bonds7

About 1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine

1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine (PubChem CID 21156850) has the molecular formula C23H25N5S2 and a molecular weight of 435.62 g/mol. Its IUPAC name is 1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine
PubChem CID21156850
Molecular FormulaC23H25N5S2
Molecular Weight435.62 g/mol
Exact Mass435.16
IUPAC Name1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine
SMILESNC(Cc1ccccc1)(c1cccs1)C(c1cccs1)c1nnnn1C1CCCC1
InChIInChI=1S/C23H25N5S2/c24-23(20-13-7-15-30-20,16-17-8-2-1-3-9-17)21(19-12-6-14-29-19)22-25-26-27-28(22)18-10-4-5-11-18/h1-3,6-9,12-15,18,21H,4-5,10-11,16,24H2
InChIKeyDZQQYDMLEGSFSH-UHFFFAOYSA-N
XLogP5.14
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.62
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-[(4-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine
CID 3193673
(1S)-N-benzyl-N-[(2-chlorophenyl)methyl]-1-(1-cyclopentyltetrazol-5-yl)-1-thiophen-2-ylmethanamine
CID 28626465
4-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholin-4-ium
CID 7140874
4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine
CID 1438561
2-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-2-azoniaspiro[5.5]undecane
CID 7140523
1-[(R)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium
CID 7141025
1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1438445
1-(1-cyclohexyltetrazol-5-yl)-2-phenyl-N-tritylethanamine
CID 102190535
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazine-1,4-diium
CID 7383831
1-cyclohexyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 3213458
4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine
CID 1431022
4-[4-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazin-4-ium-1-yl]phenol
CID 7140482

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine (CID 21156850) is 1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine is NC(Cc1ccccc1)(c1cccs1)C(c1cccs1)c1nnnn1C1CCCC1.
What is the InChIKey of 1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine?
The InChIKey is DZQQYDMLEGSFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5S2/c24-23(20-13-7-15-30-20,16-17-8-2-1-3-9-17)21(19-12-6-14-29-19)22-25-26-27-28(22)18-10-4-5-11-18/h1-3,6-9,12-15,18,21H,4-5,10-11,16,24H2.
What are the key properties of 1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine?
1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine has a molecular weight of 435.62 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyltetrazol-5-yl)-3-phenyl-1,2-dithiophen-2-ylpropan-2-amine is sourced from PubChem (CID 21156850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).