N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide

C12H21N3O3S — CID 79287512

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H21N3O3S/c1-3-7-13-10-12(16)14-11-5-8-15(9-6-11)19(17,18)4-2/h1,11,13H,4-10H2,2H3,(H,14,16)
InChIKeySIIWHWHRRMMXOT-UHFFFAOYSA-N
MW287.38 g/mol
LogP-0.86
Rot. Bonds6

About N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide

N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79287512) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
PubChem CID79287512
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H21N3O3S/c1-3-7-13-10-12(16)14-11-5-8-15(9-6-11)19(17,18)4-2/h1,11,13H,4-10H2,2H3,(H,14,16)
InChIKeySIIWHWHRRMMXOT-UHFFFAOYSA-N
XLogP-0.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 61274504
N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
CID 79287721
N-(4-hydroxycyclohexyl)-2-(prop-2-ynylamino)acetamide
CID 79286896
3-(ethylamino)-N-(1-ethylsulfonylpiperidin-4-yl)propanamide
CID 62834981
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
2-[2-[(1-ethylsulfonylpiperidin-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569215
4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61275448
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 60841652
N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrolidin-2-ylacetamide
CID 61365867
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 79401221
2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
CID 119702884

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide (CID 79287512) is N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NC1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is SIIWHWHRRMMXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-7-13-10-12(16)14-11-5-8-15(9-6-11)19(17,18)4-2/h1,11,13H,4-10H2,2H3,(H,14,16).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide?
N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 287.38 g/mol, XLogP of -0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).