(3S)-3-hydroxy-1-(sulfamoylamino)butane

C4H12N2O3S — CID 130638479

IUPAC(3S)-3-hydroxy-1-(sulfamoylamino)butane
SMILESC[C@H](O)CCNS(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c1-4(7)2-3-6-10(5,8)9/h4,6-7H,2-3H2,1H3,(H2,5,8,9)/t4-/m0/s1
InChIKeyGJCJBVHXNDQSGD-BYPYZUCNSA-N
MW168.22 g/mol
LogP-1.45
Rot. Bonds4

About (3S)-3-hydroxy-1-(sulfamoylamino)butane

(3S)-3-hydroxy-1-(sulfamoylamino)butane (PubChem CID 130638479) has the molecular formula C4H12N2O3S and a molecular weight of 168.22 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-(sulfamoylamino)butane.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-(sulfamoylamino)butane
PubChem CID130638479
Molecular FormulaC4H12N2O3S
Molecular Weight168.22 g/mol
Exact Mass168.06
IUPAC Name(3S)-3-hydroxy-1-(sulfamoylamino)butane
SMILESC[C@H](O)CCNS(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c1-4(7)2-3-6-10(5,8)9/h4,6-7H,2-3H2,1H3,(H2,5,8,9)/t4-/m0/s1
InChIKeyGJCJBVHXNDQSGD-BYPYZUCNSA-N
XLogP-1.45
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane
CID 114959448
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
N-(3-hydroxybutyl)-2-methylsulfonylethanesulfonamide
CID 64911861
1-methylsulfonyl-2-(sulfamoylamino)ethane
CID 112688958
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
N-(3-hydroxybutyl)piperidine-1-sulfonamide
CID 64911230
1-[1-hydroxy-3-(sulfamoylamino)propyl]-2-methylbenzene
CID 72703548
methyl 3-(3-hydroxybutylsulfamoyl)propanoate
CID 64912074
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
CID 111977012
1-methylsulfonyl-3-(sulfamoylamino)propane
CID 112686404
4-(sulfamoylamino)butanamide
CID 112684755

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-(sulfamoylamino)butane?
The IUPAC name of (3S)-3-hydroxy-1-(sulfamoylamino)butane (CID 130638479) is (3S)-3-hydroxy-1-(sulfamoylamino)butane.
What is the SMILES notation for (3S)-3-hydroxy-1-(sulfamoylamino)butane?
The canonical SMILES for (3S)-3-hydroxy-1-(sulfamoylamino)butane is C[C@H](O)CCNS(N)(=O)=O.
What is the InChIKey of (3S)-3-hydroxy-1-(sulfamoylamino)butane?
The InChIKey is GJCJBVHXNDQSGD-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H12N2O3S/c1-4(7)2-3-6-10(5,8)9/h4,6-7H,2-3H2,1H3,(H2,5,8,9)/t4-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-(sulfamoylamino)butane?
(3S)-3-hydroxy-1-(sulfamoylamino)butane has a molecular weight of 168.22 g/mol, XLogP of -1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-(sulfamoylamino)butane is sourced from PubChem (CID 130638479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).