N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide

C11H23NO2S — CID 61355507

IUPACN-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C11H23NO2S/c1-9(2)7-8-12(11-5-6-11)15(13,14)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyCDDMTRSXCAWOIZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.24
Rot. Bonds6

About N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide

N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide (PubChem CID 61355507) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide
PubChem CID61355507
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C11H23NO2S/c1-9(2)7-8-12(11-5-6-11)15(13,14)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyCDDMTRSXCAWOIZ-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide (CID 61355507) is N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide is CC(C)CCN(C1CC1)S(=O)(=O)C(C)C.
What is the InChIKey of N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide?
The InChIKey is CDDMTRSXCAWOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)7-8-12(11-5-6-11)15(13,14)10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide?
N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide is sourced from PubChem (CID 61355507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).