N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide

C5H11N3O2S — CID 104877235

IUPACN-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide
SMILESC[C@H](CN)NS(=O)(=O)CC#N
InChIInChI=1S/C5H11N3O2S/c1-5(4-7)8-11(9,10)3-2-6/h5,8H,3-4,7H2,1H3/t5-/m1/s1
InChIKeyQMZDRXQQMZNASI-RXMQYKEDSA-N
MW177.23 g/mol
LogP-1.22
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide

N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide (PubChem CID 104877235) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide
PubChem CID104877235
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide
SMILESC[C@H](CN)NS(=O)(=O)CC#N
InChIInChI=1S/C5H11N3O2S/c1-5(4-7)8-11(9,10)3-2-6/h5,8H,3-4,7H2,1H3/t5-/m1/s1
InChIKeyQMZDRXQQMZNASI-RXMQYKEDSA-N
XLogP-1.22
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 63731343
N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide
CID 106737773
(2R)-2-(cyanomethylsulfonylamino)-3-methylbutanoic acid
CID 79013654
(2R)-1-amino-2-(sulfamoylamino)propane;hydrochloride
CID 169235178
(2S,3R)-2-(cyanomethylsulfonylamino)-3-hydroxybutanoic acid
CID 104965161
N-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide
CID 62733698
N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyanomethanesulfonamide
CID 106833750
(2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid
CID 107830160
N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 63732186
1-cyano-N-(3-methylsulfanylbutyl)methanesulfonamide
CID 115766864
N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686692
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide (CID 104877235) is N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide is C[C@H](CN)NS(=O)(=O)CC#N.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide?
The InChIKey is QMZDRXQQMZNASI-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-5(4-7)8-11(9,10)3-2-6/h5,8H,3-4,7H2,1H3/t5-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide?
N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide has a molecular weight of 177.23 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide is sourced from PubChem (CID 104877235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).