2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride

C14H21ClN2OS — CID 119333538

IUPAC2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1cccc(CSC2CCCC2)c1
InChIInChI=1S/C14H20N2OS.ClH/c15-9-14(17)16-12-5-3-4-11(8-12)10-18-13-6-1-2-7-13;/h3-5,8,13H,1-2,6-7,9-10,15H2,(H,16,17);1H
InChIKeyLSJXZLPDTZHXBU-UHFFFAOYSA-N
MW300.86 g/mol
LogP3.18
Rot. Bonds5

About 2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride

2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride (PubChem CID 119333538) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride
PubChem CID119333538
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1cccc(CSC2CCCC2)c1
InChIInChI=1S/C14H20N2OS.ClH/c15-9-14(17)16-12-5-3-4-11(8-12)10-18-13-6-1-2-7-13;/h3-5,8,13H,1-2,6-7,9-10,15H2,(H,16,17);1H
InChIKeyLSJXZLPDTZHXBU-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(cyclohexylsulfanylmethyl)phenyl]acetamide;hydrochloride
CID 119329252
4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide
CID 119333559
(2S)-2-amino-N-[3-(cyclohexylsulfanylmethyl)phenyl]propanamide;hydrochloride
CID 119329248
3-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119801057
4-(aminomethyl)-N-[3-(cyclohexylsulfanylmethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120933844
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
(2S)-2-amino-N-[3-(cyclohexylsulfanylmethyl)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119329256
(3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 111475040
2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methylsulfonylbutanamide
CID 119957581
3-[[3-(cyclohexylsulfanylmethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122084918
N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119801073
3-(cyclohexylsulfanylmethyl)benzoic acid
CID 28914135

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride (CID 119333538) is 2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride is Cl.NCC(=O)Nc1cccc(CSC2CCCC2)c1.
What is the InChIKey of 2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride?
The InChIKey is LSJXZLPDTZHXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c15-9-14(17)16-12-5-3-4-11(8-12)10-18-13-6-1-2-7-13;/h3-5,8,13H,1-2,6-7,9-10,15H2,(H,16,17);1H.
What are the key properties of 2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride?
2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride has a molecular weight of 300.86 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119333538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).