N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide

C12H28N2O2S — CID 106079280

IUPACN-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)NC(C)(C)CCC
InChIInChI=1S/C12H28N2O2S/c1-5-8-12(3,4)14-17(15,16)11-7-10-13-9-6-2/h13-14H,5-11H2,1-4H3
InChIKeyAGZNAJPIQMJWJJ-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.87
Rot. Bonds10

About N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide

N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide (PubChem CID 106079280) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide
PubChem CID106079280
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide
SMILESCCCNCCCS(=O)(=O)NC(C)(C)CCC
InChIInChI=1S/C12H28N2O2S/c1-5-8-12(3,4)14-17(15,16)11-7-10-13-9-6-2/h13-14H,5-11H2,1-4H3
InChIKeyAGZNAJPIQMJWJJ-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylbutyl)-4-(propylamino)butane-1-sulfonamide
CID 103466329
3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882
N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide
CID 102915713
N-[2-(diethylamino)ethyl]-3-(propylamino)propane-1-sulfonamide
CID 114139014
6-ethylsulfonyl-3,3-dimethyl-N-propylhexan-1-amine
CID 81022072
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106074272
N-(2-methylbutan-2-yl)-1-[4-(propylaminomethyl)phenyl]methanesulfonamide
CID 106031496
N-[4-(dimethylamino)butan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106054820
N-(2,6-dibromophenyl)-3-(propylamino)propane-1-sulfonamide
CID 106088845
3-(propylamino)-N-(2,4,6-tribromophenyl)propane-1-sulfonamide
CID 106002412
2-methyl-2-(2-methylsulfonylethyl)-N-propylpentan-1-amine
CID 62723813

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide?
The IUPAC name of N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide (CID 106079280) is N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide?
The canonical SMILES for N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide is CCCNCCCS(=O)(=O)NC(C)(C)CCC.
What is the InChIKey of N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide?
The InChIKey is AGZNAJPIQMJWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-5-8-12(3,4)14-17(15,16)11-7-10-13-9-6-2/h13-14H,5-11H2,1-4H3.
What are the key properties of N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide?
N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide has a molecular weight of 264.43 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide is sourced from PubChem (CID 106079280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).