N-(1-methylsulfonylpropan-2-yl)hydroxylamine

C4H11NO3S — CID 82686077

IUPACN-(1-methylsulfonylpropan-2-yl)hydroxylamine
SMILESCC(CS(C)(=O)=O)NO
InChIInChI=1S/C4H11NO3S/c1-4(5-6)3-9(2,7)8/h4-6H,3H2,1-2H3
InChIKeyHXDXYFMSMWTSOD-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.60
Rot. Bonds3

About N-(1-methylsulfonylpropan-2-yl)hydroxylamine

N-(1-methylsulfonylpropan-2-yl)hydroxylamine (PubChem CID 82686077) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)hydroxylamine
PubChem CID82686077
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC NameN-(1-methylsulfonylpropan-2-yl)hydroxylamine
SMILESCC(CS(C)(=O)=O)NO
InChIInChI=1S/C4H11NO3S/c1-4(5-6)3-9(2,7)8/h4-6H,3H2,1-2H3
InChIKeyHXDXYFMSMWTSOD-UHFFFAOYSA-N
XLogP-0.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64642625
(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 79254407
2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 115901107
2-bromo-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64630189
(2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide
CID 103930040
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64631382
N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630713
(Z)-2-methyl-4-(1-methylsulfonylpropan-2-ylamino)but-2-enoic acid
CID 103252852
N-(1-methylsulfonylpropan-2-yl)but-2-yn-1-amine
CID 64629603
2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
CID 64628962
N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine
CID 64629394

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)hydroxylamine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)hydroxylamine (CID 82686077) is N-(1-methylsulfonylpropan-2-yl)hydroxylamine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)hydroxylamine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)hydroxylamine is CC(CS(C)(=O)=O)NO.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)hydroxylamine?
The InChIKey is HXDXYFMSMWTSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-4(5-6)3-9(2,7)8/h4-6H,3H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)hydroxylamine?
N-(1-methylsulfonylpropan-2-yl)hydroxylamine has a molecular weight of 153.20 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)hydroxylamine is sourced from PubChem (CID 82686077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).