(3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone

C18H28N2OS — CID 97215122

IUPAC(3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone
SMILESCC(C)c1ccsc1C(=O)N1CCC[C@@H](N2CCCC2)CC1
InChIInChI=1S/C18H28N2OS/c1-14(2)16-8-13-22-17(16)18(21)20-11-5-6-15(7-12-20)19-9-3-4-10-19/h8,13-15H,3-7,9-12H2,1-2H3/t15-/m1/s1
InChIKeyLEHMHDNJPDBTMG-OAHLLOKOSA-N
MW320.50 g/mol
LogP3.96
Rot. Bonds3

About (3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone

(3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone (PubChem CID 97215122) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is (3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone.

Molecular Properties

Compound Name(3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone
PubChem CID97215122
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name(3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone
SMILESCC(C)c1ccsc1C(=O)N1CCC[C@@H](N2CCCC2)CC1
InChIInChI=1S/C18H28N2OS/c1-14(2)16-8-13-22-17(16)18(21)20-11-5-6-15(7-12-20)19-9-3-4-10-19/h8,13-15H,3-7,9-12H2,1-2H3/t15-/m1/s1
InChIKeyLEHMHDNJPDBTMG-OAHLLOKOSA-N
XLogP3.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone 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-propan-2-ylfuran-2-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone
CID 136541221
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone
CID 120814984
[4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
CID 166250594
[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59337859
(3R)-N-cyclopropyl-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42191973
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030
2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124682778
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
CID 60567147
1-[4-(4-methylpiperazin-1-yl)azepan-1-yl]ethanone
CID 146290512
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
CID 45217033

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone?
The IUPAC name of (3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone (CID 97215122) is (3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone.
What is the SMILES notation for (3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone?
The canonical SMILES for (3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone is CC(C)c1ccsc1C(=O)N1CCC[C@@H](N2CCCC2)CC1.
What is the InChIKey of (3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone?
The InChIKey is LEHMHDNJPDBTMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-14(2)16-8-13-22-17(16)18(21)20-11-5-6-15(7-12-20)19-9-3-4-10-19/h8,13-15H,3-7,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone?
(3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone has a molecular weight of 320.50 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylthiophen-2-yl)-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]methanone is sourced from PubChem (CID 97215122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).