2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide

C14H27N3O3S — CID 82758016

IUPAC2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C2(C)CCCC2N)CC1
InChIInChI=1S/C14H27N3O3S/c1-3-21(19,20)17-9-6-11(7-10-17)16-13(18)14(2)8-4-5-12(14)15/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyVLYAIOQWYXAWOB-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.43
Rot. Bonds4

About 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82758016) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide
PubChem CID82758016
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)C2(C)CCCC2N)CC1
InChIInChI=1S/C14H27N3O3S/c1-3-21(19,20)17-9-6-11(7-10-17)16-13(18)14(2)8-4-5-12(14)15/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyVLYAIOQWYXAWOB-UHFFFAOYSA-N
XLogP0.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide (CID 82758016) is 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)C2(C)CCCC2N)CC1.
What is the InChIKey of 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is VLYAIOQWYXAWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-3-21(19,20)17-9-6-11(7-10-17)16-13(18)14(2)8-4-5-12(14)15/h11-12H,3-10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82758016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).