(1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

C11H20N2O3S — CID 103796726

IUPAC(1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
SMILESNC1(C(=O)N2CCCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C11H20N2O3S/c12-11(4-1-2-5-11)10(14)13-6-3-8-17(15,16)9-7-13/h1-9,12H2
InChIKeyFCSPHIHGCCGIKV-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.09
Rot. Bonds1

About (1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

(1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone (PubChem CID 103796726) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
PubChem CID103796726
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name(1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
SMILESNC1(C(=O)N2CCCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C11H20N2O3S/c12-11(4-1-2-5-11)10(14)13-6-3-8-17(15,16)9-7-13/h1-9,12H2
InChIKeyFCSPHIHGCCGIKV-UHFFFAOYSA-N
XLogP-0.09
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-amino-3-methylcyclohexyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103810951
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
2-(1-aminocyclopentyl)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 114083427
(1-aminocyclopentyl)-piperazin-1-ylmethanone
CID 60868287
(1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62930739
2-[1-(aminomethyl)cyclohexyl]-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 104844472
(1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119335089
3-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-methylbutan-1-one
CID 103810943
(1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride
CID 119324320
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119833997
(1-aminocyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 54916657
(1-aminocyclopentyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119843053

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone (CID 103796726) is (1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone is NC1(C(=O)N2CCCS(=O)(=O)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone?
The InChIKey is FCSPHIHGCCGIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c12-11(4-1-2-5-11)10(14)13-6-3-8-17(15,16)9-7-13/h1-9,12H2.
What are the key properties of (1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone?
(1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone has a molecular weight of 260.36 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone is sourced from PubChem (CID 103796726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).