3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide

C16H24N2O2S — CID 119818177

IUPAC3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCC(c1ccc(S(C)=O)cc1)N(C)C(=O)C1CCC(N)C1
InChIInChI=1S/C16H24N2O2S/c1-11(12-5-8-15(9-6-12)21(3)20)18(2)16(19)13-4-7-14(17)10-13/h5-6,8-9,11,13-14H,4,7,10,17H2,1-3H3
InChIKeyDUGAFPPIXYAERP-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.07
Rot. Bonds4

About 3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide

3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 119818177) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID119818177
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCC(c1ccc(S(C)=O)cc1)N(C)C(=O)C1CCC(N)C1
InChIInChI=1S/C16H24N2O2S/c1-11(12-5-8-15(9-6-12)21(3)20)18(2)16(19)13-4-7-14(17)10-13/h5-6,8-9,11,13-14H,4,7,10,17H2,1-3H3
InChIKeyDUGAFPPIXYAERP-UHFFFAOYSA-N
XLogP2.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119807766
3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119717417
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297
3-amino-N-(1-cyclopropylethyl)-N-methylcyclopentane-1-carboxamide
CID 66032087
3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide
CID 119783511
N-[1-(4-bromophenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 163259808
trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 124515814
cis-(1S,3R)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 124678581
3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119802425
N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide
CID 119818195
N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]but-2-ynamide
CID 146083763
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 119807871

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide (CID 119818177) is 3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide is CC(c1ccc(S(C)=O)cc1)N(C)C(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is DUGAFPPIXYAERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11(12-5-8-15(9-6-12)21(3)20)18(2)16(19)13-4-7-14(17)10-13/h5-6,8-9,11,13-14H,4,7,10,17H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide?
3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119818177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).