1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide

C12H23N3O3S2 — CID 119319776

IUPAC1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCS(=O)(=O)N2CCSCC2)CCCC1
InChIInChI=1S/C12H23N3O3S2/c13-12(3-1-2-4-12)11(16)14-5-10-20(17,18)15-6-8-19-9-7-15/h1-10,13H2,(H,14,16)
InChIKeyPZILURNPGGWTQH-UHFFFAOYSA-N
MW321.47 g/mol
LogP-0.25
Rot. Bonds5

About 1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide

1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide (PubChem CID 119319776) has the molecular formula C12H23N3O3S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide
PubChem CID119319776
Molecular FormulaC12H23N3O3S2
Molecular Weight321.47 g/mol
Exact Mass321.12
IUPAC Name1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCS(=O)(=O)N2CCSCC2)CCCC1
InChIInChI=1S/C12H23N3O3S2/c13-12(3-1-2-4-12)11(16)14-5-10-20(17,18)15-6-8-19-9-7-15/h1-10,13H2,(H,14,16)
InChIKeyPZILURNPGGWTQH-UHFFFAOYSA-N
XLogP-0.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride
CID 119319777
1-amino-N-(3-methylsulfonylpropyl)cyclopentane-1-carboxamide
CID 61036737
N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782887
2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide
CID 119777081
2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide
CID 120792418
2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782902
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938
2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111833647
2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
CID 119777069
1-(cyclobutylmethyl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155535
N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide
CID 109451751

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide (CID 119319776) is 1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide is NC1(C(=O)NCCS(=O)(=O)N2CCSCC2)CCCC1.
What is the InChIKey of 1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide?
The InChIKey is PZILURNPGGWTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S2/c13-12(3-1-2-4-12)11(16)14-5-10-20(17,18)15-6-8-19-9-7-15/h1-10,13H2,(H,14,16).
What are the key properties of 1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide?
1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide has a molecular weight of 321.47 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119319776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).