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

C12H26ClN3O3S — CID 119288848

IUPACN-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)N1CCCC(CNS(C)(=O)=O)C1.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-9(2)11(13)12(16)15-6-4-5-10(8-15)7-14-19(3,17)18;/h9-11,14H,4-8,13H2,1-3H3;1H/t10?,11-;/m0./s1
InChIKeyVNROLFPRSCYBQW-GQNCZFCYSA-N
MW327.88 g/mol
LogP0.18
Rot. Bonds5

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

N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride (PubChem CID 119288848) has the molecular formula C12H26ClN3O3S and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
PubChem CID119288848
Molecular FormulaC12H26ClN3O3S
Molecular Weight327.88 g/mol
Exact Mass327.14
IUPAC NameN-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)N1CCCC(CNS(C)(=O)=O)C1.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-9(2)11(13)12(16)15-6-4-5-10(8-15)7-14-19(3,17)18;/h9-11,14H,4-8,13H2,1-3H3;1H/t10?,11-;/m0./s1
InChIKeyVNROLFPRSCYBQW-GQNCZFCYSA-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

Analyze N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride with MolForge

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Related Compounds

N-[[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 61163603
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
CID 79013238
3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide
CID 60964076
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
(2S)-2-amino-3-methyl-1-[(3S)-3-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]butan-1-one
CID 96554894
N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119722478
(2S)-2-amino-1-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 121230429
1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62727034
N-[[(3R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]acetamide
CID 96554614
N-[[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 136514848
N-[[1-[1-(aminomethyl)cyclopropanecarbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 115452903

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride (CID 119288848) is N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride is CC(C)[C@H](N)C(=O)N1CCCC(CNS(C)(=O)=O)C1.Cl.
What is the InChIKey of N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The InChIKey is VNROLFPRSCYBQW-GQNCZFCYSA-N. The full InChI is InChI=1S/C12H25N3O3S.ClH/c1-9(2)11(13)12(16)15-6-4-5-10(8-15)7-14-19(3,17)18;/h9-11,14H,4-8,13H2,1-3H3;1H/t10?,11-;/m0./s1.
What are the key properties of N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
N-[[1-[(2S)-2-amino-3-methylbutanoyl]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-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119288848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).