2-phenylsulfanyl-N-propylcyclopentan-1-amine

C14H21NS — CID 22486376

IUPAC2-phenylsulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1ccccc1
InChIInChI=1S/C14H21NS/c1-2-11-15-13-9-6-10-14(13)16-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3
InChIKeyRLQJNBNEFCTZNP-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.70
Rot. Bonds5

About 2-phenylsulfanyl-N-propylcyclopentan-1-amine

2-phenylsulfanyl-N-propylcyclopentan-1-amine (PubChem CID 22486376) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-phenylsulfanyl-N-propylcyclopentan-1-amine
PubChem CID22486376
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-phenylsulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1ccccc1
InChIInChI=1S/C14H21NS/c1-2-11-15-13-9-6-10-14(13)16-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3
InChIKeyRLQJNBNEFCTZNP-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64649672
4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621345
2-(3-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64632982
2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64619129
2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64647989
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 64648465
4-tert-butyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621738
2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64626801
2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64614544
N-methyl-2-phenylsulfanylcyclododecan-1-amine
CID 64619988
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine
CID 64629057

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-propylcyclopentan-1-amine?
The IUPAC name of 2-phenylsulfanyl-N-propylcyclopentan-1-amine (CID 22486376) is 2-phenylsulfanyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-phenylsulfanyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-phenylsulfanyl-N-propylcyclopentan-1-amine is CCCNC1CCCC1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-propylcyclopentan-1-amine?
The InChIKey is RLQJNBNEFCTZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-11-15-13-9-6-10-14(13)16-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3.
What are the key properties of 2-phenylsulfanyl-N-propylcyclopentan-1-amine?
2-phenylsulfanyl-N-propylcyclopentan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 22486376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).