3-amino-N-(2-methylbutyl)propane-1-sulfonamide

C8H20N2O2S — CID 62694759

IUPAC3-amino-N-(2-methylbutyl)propane-1-sulfonamide
SMILESCCC(C)CNS(=O)(=O)CCCN
InChIInChI=1S/C8H20N2O2S/c1-3-8(2)7-10-13(11,12)6-4-5-9/h8,10H,3-7,9H2,1-2H3
InChIKeyNQDKRGCCBOPFAH-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.30
Rot. Bonds7

About 3-amino-N-(2-methylbutyl)propane-1-sulfonamide

3-amino-N-(2-methylbutyl)propane-1-sulfonamide (PubChem CID 62694759) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-amino-N-(2-methylbutyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methylbutyl)propane-1-sulfonamide
PubChem CID62694759
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name3-amino-N-(2-methylbutyl)propane-1-sulfonamide
SMILESCCC(C)CNS(=O)(=O)CCCN
InChIInChI=1S/C8H20N2O2S/c1-3-8(2)7-10-13(11,12)6-4-5-9/h8,10H,3-7,9H2,1-2H3
InChIKeyNQDKRGCCBOPFAH-UHFFFAOYSA-N
XLogP0.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutyl)ethanesulfonamide
CID 64584156
2-chloro-N-(2-methylbutyl)ethanesulfonamide
CID 107651892
3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
CID 102697740
N-(4-chloro-2-methylbutyl)propane-1-sulfonamide
CID 66089022
N-(2-methylbutyl)sulfamoyl chloride
CID 114958197
N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
CID 62691627
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 104759977
N-(2-methylpropyl)hexadecane-1-sulfonamide
CID 22976871
5-(butylsulfonylamino)-4-methylpentanoic acid
CID 82016892
3-amino-N-hydroxypropane-1-sulfonamide;hydrobromide
CID 45260204
7-amino-N-(2-methylbutyl)heptanamide
CID 62693522

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylbutyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(2-methylbutyl)propane-1-sulfonamide (CID 62694759) is 3-amino-N-(2-methylbutyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-methylbutyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(2-methylbutyl)propane-1-sulfonamide is CCC(C)CNS(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-(2-methylbutyl)propane-1-sulfonamide?
The InChIKey is NQDKRGCCBOPFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-3-8(2)7-10-13(11,12)6-4-5-9/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 3-amino-N-(2-methylbutyl)propane-1-sulfonamide?
3-amino-N-(2-methylbutyl)propane-1-sulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylbutyl)propane-1-sulfonamide is sourced from PubChem (CID 62694759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).