N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide

C11H26N2O2S — CID 106032073

IUPACN-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCCC(CC)NS(=O)(=O)C(C)CNC(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-11(7-2)13-16(14,15)10(5)8-12-9(3)4/h9-13H,6-8H2,1-5H3
InChIKeyKHEVJDUMHJZUNA-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.48
Rot. Bonds8

About N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide

N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106032073) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106032073
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCCC(CC)NS(=O)(=O)C(C)CNC(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-11(7-2)13-16(14,15)10(5)8-12-9(3)4/h9-13H,6-8H2,1-5H3
InChIKeyKHEVJDUMHJZUNA-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106029944
N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142340
N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114137559
N-(3-methylbutyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106059116
N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106019710
N-(2-methylcyclohexyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114132164
2-(pentan-3-ylsulfamoyl)propanoic acid
CID 61454293
N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106064773
N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine
CID 106512934
N-(2-propylsulfonylpropyl)pentan-3-amine
CID 106513322
2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757377
1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide
CID 106295870

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106032073) is N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide is CCC(CC)NS(=O)(=O)C(C)CNC(C)C.
What is the InChIKey of N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is KHEVJDUMHJZUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-6-11(7-2)13-16(14,15)10(5)8-12-9(3)4/h9-13H,6-8H2,1-5H3.
What are the key properties of N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide?
N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106032073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).