N-(2-amino-2-ethylbutyl)propane-2-sulfonamide

C9H22N2O2S — CID 115306044

IUPACN-(2-amino-2-ethylbutyl)propane-2-sulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)C(C)C
InChIInChI=1S/C9H22N2O2S/c1-5-9(10,6-2)7-11-14(12,13)8(3)4/h8,11H,5-7,10H2,1-4H3
InChIKeyLWASRBNOJSSBFU-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.83
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)propane-2-sulfonamide

N-(2-amino-2-ethylbutyl)propane-2-sulfonamide (PubChem CID 115306044) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)propane-2-sulfonamide
PubChem CID115306044
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-(2-amino-2-ethylbutyl)propane-2-sulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)C(C)C
InChIInChI=1S/C9H22N2O2S/c1-5-9(10,6-2)7-11-14(12,13)8(3)4/h8,11H,5-7,10H2,1-4H3
InChIKeyLWASRBNOJSSBFU-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide
CID 65110441
N-(2-amino-2-ethylbutyl)-2,2-dimethylpropane-1-sulfonamide
CID 115306037
N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide
CID 63902709
2-[(2-amino-2-ethylbutyl)sulfamoyl]acetic acid
CID 115305990
1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
CID 114811238
N-(2-ethylbutyl)propane-2-sulfonamide
CID 115613314
3-amino-3-[[[methyl(propyl)sulfamoyl]amino]methyl]pentane;hydrochloride
CID 119989719
N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711865
2-ethyl-1-N-methylbutane-1,2-diamine
CID 21278322
N-[2-(dimethylamino)propyl]propane-2-sulfonamide
CID 61357181
methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate
CID 119989981
N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
CID 119990108

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)propane-2-sulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)propane-2-sulfonamide (CID 115306044) is N-(2-amino-2-ethylbutyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)propane-2-sulfonamide is CCC(N)(CC)CNS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)propane-2-sulfonamide?
The InChIKey is LWASRBNOJSSBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-5-9(10,6-2)7-11-14(12,13)8(3)4/h8,11H,5-7,10H2,1-4H3.
What are the key properties of N-(2-amino-2-ethylbutyl)propane-2-sulfonamide?
N-(2-amino-2-ethylbutyl)propane-2-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)propane-2-sulfonamide is sourced from PubChem (CID 115306044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).