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

C15H24ClN3O3S — CID 119288841

IUPACN-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCCN(C(=O)C(N)c2ccccc2)C1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-22(20,21)17-10-12-6-5-9-18(11-12)15(19)14(16)13-7-3-2-4-8-13;/h2-4,7-8,12,14,17H,5-6,9-11,16H2,1H3;1H
InChIKeyXUOKHFDZVZYJBY-UHFFFAOYSA-N
MW361.90 g/mol
LogP0.90
Rot. Bonds5

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

N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride (PubChem CID 119288841) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
PubChem CID119288841
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCCN(C(=O)C(N)c2ccccc2)C1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-22(20,21)17-10-12-6-5-9-18(11-12)15(19)14(16)13-7-3-2-4-8-13;/h2-4,7-8,12,14,17H,5-6,9-11,16H2,1H3;1H
InChIKeyXUOKHFDZVZYJBY-UHFFFAOYSA-N
XLogP0.90
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
CID 119337376
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796550
(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537
N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288848
(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide
CID 94446876
3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
CID 119308870
benzyl N-[(2R)-1-[(3R)-3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 51727543
3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide
CID 60964076
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride (CID 119288841) is N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NCC1CCCN(C(=O)C(N)c2ccccc2)C1.Cl.
What is the InChIKey of N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The InChIKey is XUOKHFDZVZYJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-22(20,21)17-10-12-6-5-9-18(11-12)15(19)14(16)13-7-3-2-4-8-13;/h2-4,7-8,12,14,17H,5-6,9-11,16H2,1H3;1H.
What are the key properties of N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119288841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).