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

C11H26N2O2S — CID 106029944

IUPACN-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-8(2)11(6)13-16(14,15)10(5)7-12-9(3)4/h8-13H,7H2,1-6H3
InChIKeyQPMAGWGZHBLLOC-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.34
Rot. Bonds7

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

N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106029944) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106029944
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-8(2)11(6)13-16(14,15)10(5)7-12-9(3)4/h8-13H,7H2,1-6H3
InChIKeyQPMAGWGZHBLLOC-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106032073
N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142340
2-(3-methylbutan-2-ylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757377
N-[(2R)-3-methylbutan-2-yl]propane-2-sulfonamide
CID 153298586
N-(3-methylbutyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106059116
N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114137559
N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106064773
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106059659
N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106009921
1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide
CID 106295870
N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106019710
N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106079958

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106029944) is N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)NC(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is QPMAGWGZHBLLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-8(2)11(6)13-16(14,15)10(5)7-12-9(3)4/h8-13H,7H2,1-6H3.
What are the key properties of N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106029944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).