(2S)-2-(propylsulfamoylamino)butan-1-ol

C7H18N2O3S — CID 104981941

IUPAC(2S)-2-(propylsulfamoylamino)butan-1-ol
SMILESCCCNS(=O)(=O)N[C@@H](CC)CO
InChIInChI=1S/C7H18N2O3S/c1-3-5-8-13(11,12)9-7(4-2)6-10/h7-10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyINJJHYDNFLFGEZ-ZETCQYMHSA-N
MW210.30 g/mol
LogP-0.41
Rot. Bonds7

About (2S)-2-(propylsulfamoylamino)butan-1-ol

(2S)-2-(propylsulfamoylamino)butan-1-ol (PubChem CID 104981941) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is (2S)-2-(propylsulfamoylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(propylsulfamoylamino)butan-1-ol
PubChem CID104981941
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name(2S)-2-(propylsulfamoylamino)butan-1-ol
SMILESCCCNS(=O)(=O)N[C@@H](CC)CO
InChIInChI=1S/C7H18N2O3S/c1-3-5-8-13(11,12)9-7(4-2)6-10/h7-10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyINJJHYDNFLFGEZ-ZETCQYMHSA-N
XLogP-0.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(tert-butylsulfamoylamino)butan-1-ol
CID 104978099
1-hydroxybutan-2-ylsulfamic acid
CID 150046835
2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol
CID 106157302
4-methyl-3-(propylsulfamoylamino)pentan-1-ol
CID 106353409
2-(dimethylsulfamoylamino)-1-hydroxybutane
CID 43501763
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
N-(1-hydroxybutan-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842449
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 103918485
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 104981900
N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide
CID 104981929
2-(methylsulfamoylamino)propane-1,3-diol
CID 114809585

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(propylsulfamoylamino)butan-1-ol?
The IUPAC name of (2S)-2-(propylsulfamoylamino)butan-1-ol (CID 104981941) is (2S)-2-(propylsulfamoylamino)butan-1-ol.
What is the SMILES notation for (2S)-2-(propylsulfamoylamino)butan-1-ol?
The canonical SMILES for (2S)-2-(propylsulfamoylamino)butan-1-ol is CCCNS(=O)(=O)N[C@@H](CC)CO.
What is the InChIKey of (2S)-2-(propylsulfamoylamino)butan-1-ol?
The InChIKey is INJJHYDNFLFGEZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-3-5-8-13(11,12)9-7(4-2)6-10/h7-10H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-(propylsulfamoylamino)butan-1-ol?
(2S)-2-(propylsulfamoylamino)butan-1-ol has a molecular weight of 210.30 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(propylsulfamoylamino)butan-1-ol is sourced from PubChem (CID 104981941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).