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

C9H21NO2S — CID 23598204

IUPACN,N-di(propan-2-yl)propane-2-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO2S/c1-7(2)10(8(3)4)13(11,12)9(5)6/h7-9H,1-6H3
InChIKeyULEJJTKWHTXEAX-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.84
Rot. Bonds4

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

N,N-di(propan-2-yl)propane-2-sulfonamide (PubChem CID 23598204) 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-2-sulfonamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)propane-2-sulfonamide
PubChem CID23598204
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN,N-di(propan-2-yl)propane-2-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO2S/c1-7(2)10(8(3)4)13(11,12)9(5)6/h7-9H,1-6H3
InChIKeyULEJJTKWHTXEAX-UHFFFAOYSA-N
XLogP1.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.84
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-2-sulfonamide?
The IUPAC name of N,N-di(propan-2-yl)propane-2-sulfonamide (CID 23598204) is N,N-di(propan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N,N-di(propan-2-yl)propane-2-sulfonamide?
The canonical SMILES for N,N-di(propan-2-yl)propane-2-sulfonamide is CC(C)N(C(C)C)S(=O)(=O)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)propane-2-sulfonamide?
The InChIKey is ULEJJTKWHTXEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-7(2)10(8(3)4)13(11,12)9(5)6/h7-9H,1-6H3.
What are the key properties of N,N-di(propan-2-yl)propane-2-sulfonamide?
N,N-di(propan-2-yl)propane-2-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.84, 4 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-2-sulfonamide is sourced from PubChem (CID 23598204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).