1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone

C18H21NOS — CID 56736237

IUPAC1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
SMILESO=C(CSc1ccc2ccccc2c1)N1CCCCCC1
InChIInChI=1S/C18H21NOS/c20-18(19-11-5-1-2-6-12-19)14-21-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13H,1-2,5-6,11-12,14H2
InChIKeyFUGPHEAPJWMGCF-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.33
Rot. Bonds3

About 1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone

1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone (PubChem CID 56736237) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
PubChem CID56736237
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
SMILESO=C(CSc1ccc2ccccc2c1)N1CCCCCC1
InChIInChI=1S/C18H21NOS/c20-18(19-11-5-1-2-6-12-19)14-21-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13H,1-2,5-6,11-12,14H2
InChIKeyFUGPHEAPJWMGCF-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone 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

1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride
CID 119373976
4-[2-(azocan-1-yl)-2-oxoethyl]sulfanylbenzoic acid
CID 43242305
2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 61031200
N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide
CID 33006308
1-(azepan-1-yl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 4617947
2-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 78797905
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
CID 60652389
4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoic acid
CID 16791377
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone
CID 119622711
2-(3,4-difluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 51073254
2-[4-(hydroxymethyl)phenyl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 113371968
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7700584

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone?
The IUPAC name of 1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone (CID 56736237) is 1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone is O=C(CSc1ccc2ccccc2c1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone?
The InChIKey is FUGPHEAPJWMGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c20-18(19-11-5-1-2-6-12-19)14-21-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13H,1-2,5-6,11-12,14H2.
What are the key properties of 1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone?
1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone has a molecular weight of 299.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone is sourced from PubChem (CID 56736237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).