(2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane

C10H24N2O4S — CID 100638573

IUPAC(2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane
SMILESCN(C)S(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C
InChIInChI=1S/C10H24N2O4S/c1-10(2,3)9(14)6-8(7-13)11-17(15,16)12(4)5/h8-9,11,13-14H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeySTVGQQPYPPOXNY-IUCAKERBSA-N
MW268.38 g/mol
LogP-0.46
Rot. Bonds6

About (2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane

(2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane (PubChem CID 100638573) has the molecular formula C10H24N2O4S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane.

Molecular Properties

Compound Name(2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane
PubChem CID100638573
Molecular FormulaC10H24N2O4S
Molecular Weight268.38 g/mol
Exact Mass268.15
IUPAC Name(2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane
SMILESCN(C)S(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C
InChIInChI=1S/C10H24N2O4S/c1-10(2,3)9(14)6-8(7-13)11-17(15,16)12(4)5/h8-9,11,13-14H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeySTVGQQPYPPOXNY-IUCAKERBSA-N
XLogP-0.46
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5,5-dimethylhexane-1,4-diol
CID 112756513
5,5-Dimethyl-2-(methylamino)hexane-1,4-diol
CID 177955394
(2R,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane
CID 100638588
(2S,4R)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane
CID 100638604
(2R,4R)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane
CID 100638617
[(2-Hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane
CID 103835504
2-[[3-Hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxy-1,1-dimethylcyclobutane
CID 105855946
2-Hydroxy-4,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 113318152
2-(Diethylsulfamoylamino)-4-hydroxy-1,1-dimethylcyclobutane
CID 114631507
2-[[Butyl(methyl)sulfamoyl]amino]-4-hydroxy-1,1-dimethylcyclobutane
CID 114631521
2-Hydroxy-1,1-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclobutane
CID 114631609
2-(Dimethylsulfamoylamino)-4-hydroxy-1,1-dimethylcyclobutane
CID 114631634

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane?
The IUPAC name of (2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane (CID 100638573) is (2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane.
What is the SMILES notation for (2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane?
The canonical SMILES for (2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane is CN(C)S(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C.
What is the InChIKey of (2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane?
The InChIKey is STVGQQPYPPOXNY-IUCAKERBSA-N. The full InChI is InChI=1S/C10H24N2O4S/c1-10(2,3)9(14)6-8(7-13)11-17(15,16)12(4)5/h8-9,11,13-14H,6-7H2,1-5H3/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane?
(2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane has a molecular weight of 268.38 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(dimethylsulfamoylamino)-1,4-dihydroxy-5,5-dimethylhexane is sourced from PubChem (CID 100638573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).