N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride

C12H26ClN3O3S — CID 119722478

IUPACN-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
SMILESCC(C)(CN)C(=O)N1CCCC(CNS(C)(=O)=O)C1.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-12(2,9-13)11(16)15-6-4-5-10(8-15)7-14-19(3,17)18;/h10,14H,4-9,13H2,1-3H3;1H
InChIKeyNRISNMNNLXJVBH-UHFFFAOYSA-N
MW327.88 g/mol
LogP0.18
Rot. Bonds5

About N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride

N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride (PubChem CID 119722478) has the molecular formula C12H26ClN3O3S and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
PubChem CID119722478
Molecular FormulaC12H26ClN3O3S
Molecular Weight327.88 g/mol
Exact Mass327.14
IUPAC NameN-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
SMILESCC(C)(CN)C(=O)N1CCCC(CNS(C)(=O)=O)C1.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-12(2,9-13)11(16)15-6-4-5-10(8-15)7-14-19(3,17)18;/h10,14H,4-9,13H2,1-3H3;1H
InChIKeyNRISNMNNLXJVBH-UHFFFAOYSA-N
XLogP0.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
1-[2-methyl-2-(methylamino)propanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 62846901
N-[[1-[1-(aminomethyl)cyclopropanecarbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 115452903
N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288848
N-[[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 136514848
2,2-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 62679191
3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide
CID 60964076
N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60776412
N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288828
N-[[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 61163603

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride (CID 119722478) is N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride is CC(C)(CN)C(=O)N1CCCC(CNS(C)(=O)=O)C1.Cl.
What is the InChIKey of N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The InChIKey is NRISNMNNLXJVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S.ClH/c1-12(2,9-13)11(16)15-6-4-5-10(8-15)7-14-19(3,17)18;/h10,14H,4-9,13H2,1-3H3;1H.
What are the key properties of N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119722478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).