2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide

C9H19NO2S — CID 165469661

IUPAC2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CC(C)C1CC1
InChIInChI=1S/C9H19NO2S/c1-7(2)10-13(11,12)6-8(3)9-4-5-9/h7-10H,4-6H2,1-3H3
InChIKeyBRWSVQMLHWMRFQ-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.36
Rot. Bonds5

About 2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide

2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 165469661) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide
PubChem CID165469661
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CC(C)C1CC1
InChIInChI=1S/C9H19NO2S/c1-7(2)10-13(11,12)6-8(3)9-4-5-9/h7-10H,4-6H2,1-3H3
InChIKeyBRWSVQMLHWMRFQ-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide (CID 165469661) is 2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide is CC(C)NS(=O)(=O)CC(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is BRWSVQMLHWMRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(2)10-13(11,12)6-8(3)9-4-5-9/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide?
2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 165469661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).