1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine

C19H27N3S — CID 119110022

IUPAC1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine
SMILESc1cc(CNCC2(N3CCSCC3)CCCC2)c2cc[nH]c2c1
InChIInChI=1S/C19H27N3S/c1-2-8-19(7-1,22-10-12-23-13-11-22)15-20-14-16-4-3-5-18-17(16)6-9-21-18/h3-6,9,20-21H,1-2,7-8,10-15H2
InChIKeyBGKVRQGKOHYFEJ-UHFFFAOYSA-N
MW329.51 g/mol
LogP3.62
Rot. Bonds5

About 1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine

1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine (PubChem CID 119110022) has the molecular formula C19H27N3S and a molecular weight of 329.51 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine
PubChem CID119110022
Molecular FormulaC19H27N3S
Molecular Weight329.51 g/mol
Exact Mass329.19
IUPAC Name1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine
SMILESc1cc(CNCC2(N3CCSCC3)CCCC2)c2cc[nH]c2c1
InChIInChI=1S/C19H27N3S/c1-2-8-19(7-1,22-10-12-23-13-11-22)15-20-14-16-4-3-5-18-17(16)6-9-21-18/h3-6,9,20-21H,1-2,7-8,10-15H2
InChIKeyBGKVRQGKOHYFEJ-UHFFFAOYSA-N
XLogP3.62
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 111114552
N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 113252690
2-[1-[(1H-indol-4-ylmethylamino)methyl]cyclopropyl]ethanol
CID 114750289
N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62999922
1-(1H-indol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802406
1-(1H-indol-4-ylmethyl)cyclopropan-1-amine
CID 117280504
3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
CID 107268183
1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705018
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 66410016

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine (CID 119110022) is 1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine is c1cc(CNCC2(N3CCSCC3)CCCC2)c2cc[nH]c2c1.
What is the InChIKey of 1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine?
The InChIKey is BGKVRQGKOHYFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3S/c1-2-8-19(7-1,22-10-12-23-13-11-22)15-20-14-16-4-3-5-18-17(16)6-9-21-18/h3-6,9,20-21H,1-2,7-8,10-15H2.
What are the key properties of 1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine?
1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine has a molecular weight of 329.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 119110022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).