N,N-di(propan-2-yl)propane-1-sulfonamide

C9H21NO2S — CID 59598906

IUPACN,N-di(propan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H21NO2S/c1-6-7-13(11,12)10(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyMMXZFATVEIBUGH-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.85
Rot. Bonds5

About N,N-di(propan-2-yl)propane-1-sulfonamide

N,N-di(propan-2-yl)propane-1-sulfonamide (PubChem CID 59598906) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N,N-di(propan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)propane-1-sulfonamide
PubChem CID59598906
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN,N-di(propan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H21NO2S/c1-6-7-13(11,12)10(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyMMXZFATVEIBUGH-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)propane-1-sulfonamide?
The IUPAC name of N,N-di(propan-2-yl)propane-1-sulfonamide (CID 59598906) is N,N-di(propan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N,N-di(propan-2-yl)propane-1-sulfonamide?
The canonical SMILES for N,N-di(propan-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)propane-1-sulfonamide?
The InChIKey is MMXZFATVEIBUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-6-7-13(11,12)10(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of N,N-di(propan-2-yl)propane-1-sulfonamide?
N,N-di(propan-2-yl)propane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 59598906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).