N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine

C15H20N2S — CID 103701472

IUPACN-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NCc2cccc3cc[nH]c23)C1
InChIInChI=1S/C15H20N2S/c1-18-14-6-5-13(9-14)17-10-12-4-2-3-11-7-8-16-15(11)12/h2-4,7-8,13-14,16-17H,5-6,9-10H2,1H3
InChIKeyWPQPGBKHLHBGMB-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.54
Rot. Bonds4

About N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine

N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine (PubChem CID 103701472) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine
PubChem CID103701472
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NCc2cccc3cc[nH]c23)C1
InChIInChI=1S/C15H20N2S/c1-18-14-6-5-13(9-14)17-10-12-4-2-3-11-7-8-16-15(11)12/h2-4,7-8,13-14,16-17H,5-6,9-10H2,1H3
InChIKeyWPQPGBKHLHBGMB-UHFFFAOYSA-N
XLogP3.54
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 103701386
N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701474
N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride
CID 115614559
N-(1H-indol-7-ylmethyl)-1,1-dioxothian-4-amine
CID 102909509
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122843
3-methylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926173
N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 104854276
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607465
N-[(4-bromo-2-chlorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701411
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 115656374

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine (CID 103701472) is N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine is CSC1CCC(NCc2cccc3cc[nH]c23)C1.
What is the InChIKey of N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is WPQPGBKHLHBGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-18-14-6-5-13(9-14)17-10-12-4-2-3-11-7-8-16-15(11)12/h2-4,7-8,13-14,16-17H,5-6,9-10H2,1H3.
What are the key properties of N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine?
N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103701472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).