1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide

C12H23N3O2S — CID 79563996

IUPAC1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCCC1CCN1CCS(=O)CC1
InChIInChI=1S/C12H23N3O2S/c13-11(16)12(14)4-1-2-10(12)3-5-15-6-8-18(17)9-7-15/h10H,1-9,14H2,(H2,13,16)
InChIKeyKCODWLNTJSYSER-UHFFFAOYSA-N
MW273.40 g/mol
LogP-0.58
Rot. Bonds4

About 1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide

1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 79563996) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID79563996
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCCC1CCN1CCS(=O)CC1
InChIInChI=1S/C12H23N3O2S/c13-11(16)12(14)4-1-2-10(12)3-5-15-6-8-18(17)9-7-15/h10H,1-9,14H2,(H2,13,16)
InChIKeyKCODWLNTJSYSER-UHFFFAOYSA-N
XLogP-0.58
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 79564009
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CID 79563637
1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide
CID 104968705
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide
CID 79564461
1-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79564607
1-amino-2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79573490
1-amino-2-[2-[(1-ethylpiperidin-4-yl)-methylamino]ethyl]cyclopentane-1-carboxamide
CID 79565781
2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79577274
1-amino-2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79570983
1-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79577598
1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79571495
1-(propan-2-ylamino)-2-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 79575874

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide (CID 79563996) is 1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide is NC(=O)C1(N)CCCC1CCN1CCS(=O)CC1.
What is the InChIKey of 1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is KCODWLNTJSYSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c13-11(16)12(14)4-1-2-10(12)3-5-15-6-8-18(17)9-7-15/h10H,1-9,14H2,(H2,13,16).
What are the key properties of 1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 273.40 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79563996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).