3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide

C17H26N2OS — CID 156609275

IUPAC3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCSc1cccc(CN(C(=O)C2CCC(N)C2)C(C)C)c1
InChIInChI=1S/C17H26N2OS/c1-12(2)19(17(20)14-7-8-15(18)10-14)11-13-5-4-6-16(9-13)21-3/h4-6,9,12,14-15H,7-8,10-11,18H2,1-3H3
InChIKeyKZRVJEWCXFZWAD-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.27
Rot. Bonds5

About 3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide

3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 156609275) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
PubChem CID156609275
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCSc1cccc(CN(C(=O)C2CCC(N)C2)C(C)C)c1
InChIInChI=1S/C17H26N2OS/c1-12(2)19(17(20)14-7-8-15(18)10-14)11-13-5-4-6-16(9-13)21-3/h4-6,9,12,14-15H,7-8,10-11,18H2,1-3H3
InChIKeyKZRVJEWCXFZWAD-UHFFFAOYSA-N
XLogP3.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
3-amino-N-methyl-N-[(3-methylsulfanylphenyl)methyl]cyclohexane-1-carboxamide
CID 156608399
cis-(1S,2R)-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 131892049
N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-yl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99947871
3-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 66010634
4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 60962806
3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66009589
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 63044895
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
3-amino-N-(2-methylpropyl)-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119730925
(2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide
CID 77098306
3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 119759977

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide (CID 156609275) is 3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide is CSc1cccc(CN(C(=O)C2CCC(N)C2)C(C)C)c1.
What is the InChIKey of 3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is KZRVJEWCXFZWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-12(2)19(17(20)14-7-8-15(18)10-14)11-13-5-4-6-16(9-13)21-3/h4-6,9,12,14-15H,7-8,10-11,18H2,1-3H3.
What are the key properties of 3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide?
3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 306.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 156609275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).