N-cyclopropyl-4-methylpentane-1-sulfonamide

C9H19NO2S — CID 121353246

IUPACN-cyclopropyl-4-methylpentane-1-sulfonamide
SMILESCC(C)CCCS(=O)(=O)NC1CC1
InChIInChI=1S/C9H19NO2S/c1-8(2)4-3-7-13(11,12)10-9-5-6-9/h8-10H,3-7H2,1-2H3
InChIKeyYCMFMWUTANKSEE-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.50
Rot. Bonds6

About N-cyclopropyl-4-methylpentane-1-sulfonamide

N-cyclopropyl-4-methylpentane-1-sulfonamide (PubChem CID 121353246) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-cyclopropyl-4-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methylpentane-1-sulfonamide
PubChem CID121353246
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-cyclopropyl-4-methylpentane-1-sulfonamide
SMILESCC(C)CCCS(=O)(=O)NC1CC1
InChIInChI=1S/C9H19NO2S/c1-8(2)4-3-7-13(11,12)10-9-5-6-9/h8-10H,3-7H2,1-2H3
InChIKeyYCMFMWUTANKSEE-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methylpentane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-4-methylpentane-1-sulfonamide (CID 121353246) is N-cyclopropyl-4-methylpentane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methylpentane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-4-methylpentane-1-sulfonamide is CC(C)CCCS(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-methylpentane-1-sulfonamide?
The InChIKey is YCMFMWUTANKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)4-3-7-13(11,12)10-9-5-6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-cyclopropyl-4-methylpentane-1-sulfonamide?
N-cyclopropyl-4-methylpentane-1-sulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methylpentane-1-sulfonamide is sourced from PubChem (CID 121353246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).