N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide

C8H17NO3S — CID 60865129

IUPACN-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C8H17NO3S/c1-7(2)13(11,12)9(5-6-10)8-3-4-8/h7-8,10H,3-6H2,1-2H3
InChIKeyOVSMMIPDQRLQMW-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds5

About N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide

N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide (PubChem CID 60865129) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide
PubChem CID60865129
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C8H17NO3S/c1-7(2)13(11,12)9(5-6-10)8-3-4-8/h7-8,10H,3-6H2,1-2H3
InChIKeyOVSMMIPDQRLQMW-UHFFFAOYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide (CID 60865129) is N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide?
The InChIKey is OVSMMIPDQRLQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)13(11,12)9(5-6-10)8-3-4-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide?
N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)propane-2-sulfonamide is sourced from PubChem (CID 60865129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).