2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C12H25ClN2O3S — CID 119464478

IUPAC2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCC(C)CS(=O)(=O)CC(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-10(2)8-18(16,17)9-12(15)14-7-11-4-3-5-13-6-11;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H
InChIKeyQBMORLTZXNMUPE-UHFFFAOYSA-N
MW312.86 g/mol
LogP0.59
Rot. Bonds6

About 2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119464478) has the molecular formula C12H25ClN2O3S and a molecular weight of 312.86 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119464478
Molecular FormulaC12H25ClN2O3S
Molecular Weight312.86 g/mol
Exact Mass312.13
IUPAC Name2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCC(C)CS(=O)(=O)CC(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-10(2)8-18(16,17)9-12(15)14-7-11-4-3-5-13-6-11;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H
InChIKeyQBMORLTZXNMUPE-UHFFFAOYSA-N
XLogP0.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464085
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide
CID 119454185
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
2,2-dimethyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide;hydrochloride
CID 119462428
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
N-(cyclopropylmethyl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637630

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119464478) is 2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is CC(C)CS(=O)(=O)CC(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is QBMORLTZXNMUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S.ClH/c1-10(2)8-18(16,17)9-12(15)14-7-11-4-3-5-13-6-11;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119464478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).