N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride

C16H25ClN2OS — CID 119765619

IUPACN-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)C1CCNC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-11-9-13(20-16(2,3)4)5-6-14(11)18-15(19)12-7-8-17-10-12;/h5-6,9,12,17H,7-8,10H2,1-4H3,(H,18,19);1H
InChIKeyNCDFFVHDHLUSOD-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.86
Rot. Bonds3

About N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119765619) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119765619
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC NameN-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)C1CCNC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-11-9-13(20-16(2,3)4)5-6-14(11)18-15(19)12-7-8-17-10-12;/h5-6,9,12,17H,7-8,10H2,1-4H3,(H,18,19);1H
InChIKeyNCDFFVHDHLUSOD-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride 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

N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119766390
N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119315518
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide
CID 63007219
N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119309248
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide
CID 119309241
1-[(4-tert-butylsulfanyl-2-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122078793
N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 119739476
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119313836
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119765619) is N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride is Cc1cc(SC(C)(C)C)ccc1NC(=O)C1CCNC1.Cl.
What is the InChIKey of N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is NCDFFVHDHLUSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-11-9-13(20-16(2,3)4)5-6-14(11)18-15(19)12-7-8-17-10-12;/h5-6,9,12,17H,7-8,10H2,1-4H3,(H,18,19);1H.
What are the key properties of N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119765619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).