(3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane

C9H22N2O2S — CID 97215224

IUPAC(3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane
SMILESCC(C)C[C@H](NS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H22N2O2S/c1-7(2)6-8(9(3,4)5)11-14(10,12)13/h7-8,11H,6H2,1-5H3,(H2,10,12,13)/t8-/m0/s1
InChIKeyFKEIPYPWNAESCH-QMMMGPOBSA-N
MW222.35 g/mol
LogP1.24
Rot. Bonds4

About (3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane

(3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane (PubChem CID 97215224) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is (3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane.

Molecular Properties

Compound Name(3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane
PubChem CID97215224
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name(3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane
SMILESCC(C)C[C@H](NS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H22N2O2S/c1-7(2)6-8(9(3,4)5)11-14(10,12)13/h7-8,11H,6H2,1-5H3,(H2,10,12,13)/t8-/m0/s1
InChIKeyFKEIPYPWNAESCH-QMMMGPOBSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,4-trimethyl-N-(2,4,4-trimethylpentylsulfamoyl)pentan-1-amine
CID 20240475
3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 22966184
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
2,6-Dimethyl-4-(sulfinatoamino)heptane
CID 57421737
3,5,5-Trimethyl-1-(sulfinatoamino)hexane
CID 57421741
2-Methyl-3-(sulfinatoamino)hexane
CID 57467024
3-Methyl-4-(sulfinatoamino)heptane
CID 57467028
N-(2,4,4-trimethylpentan-2-ylsulfamoyl)cyclohexanamine
CID 57667564
(2R)-2-(dimethylsulfamoylamino)-4-methylpentane
CID 58923230
2,2,4-Trimethyl-1-(sulfamoylamino)pentane
CID 89105586
4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine
CID 110611315
2-Methyl-3-(sulfamoylamino)pentane
CID 112686448

Frequently Asked Questions

What is the IUPAC name of (3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane?
The IUPAC name of (3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane (CID 97215224) is (3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane.
What is the SMILES notation for (3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane?
The canonical SMILES for (3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane is CC(C)C[C@H](NS(N)(=O)=O)C(C)(C)C.
What is the InChIKey of (3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane?
The InChIKey is FKEIPYPWNAESCH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-7(2)6-8(9(3,4)5)11-14(10,12)13/h7-8,11H,6H2,1-5H3,(H2,10,12,13)/t8-/m0/s1.
What are the key properties of (3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane?
(3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane has a molecular weight of 222.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane is sourced from PubChem (CID 97215224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).