(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane

C10H24N2O3S — CID 79256086

IUPAC(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
SMILESCCCCN(C)S(=O)(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C10H24N2O3S/c1-5-6-7-12(4)16(14,15)11-10(8-13)9(2)3/h9-11,13H,5-8H2,1-4H3/t10-/m1/s1
InChIKeySPWASHNFOSVGMJ-SNVBAGLBSA-N
MW252.38 g/mol
LogP0.57
Rot. Bonds8

About (2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane

(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane (PubChem CID 79256086) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is (2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane.

Molecular Properties

Compound Name(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
PubChem CID79256086
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
SMILESCCCCN(C)S(=O)(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C10H24N2O3S/c1-5-6-7-12(4)16(14,15)11-10(8-13)9(2)3/h9-11,13H,5-8H2,1-4H3/t10-/m1/s1
InChIKeySPWASHNFOSVGMJ-SNVBAGLBSA-N
XLogP0.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256341
2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
CID 79022091
(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 79255703
2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
CID 106018827
2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane
CID 62200403
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910
2-[[3-aminopropyl(methyl)sulfamoyl]amino]pentane
CID 61456420
4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid
CID 43169485
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylpropane
CID 65113164
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307217
(2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane
CID 103736172

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane?
The IUPAC name of (2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane (CID 79256086) is (2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane.
What is the SMILES notation for (2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane?
The canonical SMILES for (2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane is CCCCN(C)S(=O)(=O)N[C@H](CO)C(C)C.
What is the InChIKey of (2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane?
The InChIKey is SPWASHNFOSVGMJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-5-6-7-12(4)16(14,15)11-10(8-13)9(2)3/h9-11,13H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of (2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane?
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane has a molecular weight of 252.38 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane is sourced from PubChem (CID 79256086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).