2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide

C12H23N3O3S — CID 61274504

IUPAC2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CNC2CC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-2-19(17,18)15-7-5-11(6-8-15)14-12(16)9-13-10-3-4-10/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyBGNYXAFPTWRUMQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.33
Rot. Bonds6

About 2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide

2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide (PubChem CID 61274504) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
PubChem CID61274504
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CNC2CC2)CC1
InChIInChI=1S/C12H23N3O3S/c1-2-19(17,18)15-7-5-11(6-8-15)14-12(16)9-13-10-3-4-10/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyBGNYXAFPTWRUMQ-UHFFFAOYSA-N
XLogP-0.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
CID 79287512
2-[(1-acetylpiperidin-4-yl)amino]-N-cyclopropylacetamide
CID 43231891
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide
CID 62834981
2-[2-[(1-ethylsulfonylpiperidin-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569215
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 60841652
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61275448
2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
CID 119702884
2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108559964
2-(cyclopropylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 60842326
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide (CID 61274504) is 2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide is CCS(=O)(=O)N1CCC(NC(=O)CNC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is BGNYXAFPTWRUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-2-19(17,18)15-7-5-11(6-8-15)14-12(16)9-13-10-3-4-10/h10-11,13H,2-9H2,1H3,(H,14,16).
What are the key properties of 2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide?
2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 289.40 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 61274504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).