(2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

C13H24N2O3S — CID 103810965

IUPAC(2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
SMILESNC1CCCCCC1C(=O)N1CCCS(=O)(=O)CC1
InChIInChI=1S/C13H24N2O3S/c14-12-6-3-1-2-5-11(12)13(16)15-7-4-9-19(17,18)10-8-15/h11-12H,1-10,14H2
InChIKeyFRNANCMMAPNHLA-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.54
Rot. Bonds1

About (2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

(2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone (PubChem CID 103810965) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is (2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
PubChem CID103810965
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name(2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
SMILESNC1CCCCCC1C(=O)N1CCCS(=O)(=O)CC1
InChIInChI=1S/C13H24N2O3S/c14-12-6-3-1-2-5-11(12)13(16)15-7-4-9-19(17,18)10-8-15/h11-12H,1-10,14H2
InChIKeyFRNANCMMAPNHLA-UHFFFAOYSA-N
XLogP0.54
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-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

(2-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62776127
cis-(1S,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentane-1-carboxylic acid
CID 114091788
(2-aminocycloheptyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404307
2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 99849854
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085
[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone
CID 164661854
4-(2-aminocyclohexanecarbonyl)-N-ethylpiperazine-1-carboxamide
CID 64825150
2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 79615083
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852
(2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696323
(2-aminocyclohexyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63154703
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625103

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone?
The IUPAC name of (2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone (CID 103810965) is (2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone.
What is the SMILES notation for (2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone?
The canonical SMILES for (2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone is NC1CCCCCC1C(=O)N1CCCS(=O)(=O)CC1.
What is the InChIKey of (2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone?
The InChIKey is FRNANCMMAPNHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c14-12-6-3-1-2-5-11(12)13(16)15-7-4-9-19(17,18)10-8-15/h11-12H,1-10,14H2.
What are the key properties of (2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone?
(2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone has a molecular weight of 288.41 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone is sourced from PubChem (CID 103810965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).