3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide

C9H20N2O3S — CID 111113309

IUPAC3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN(CCO)C1CC1
InChIInChI=1S/C9H20N2O3S/c1-10-15(13,14)8-2-5-11(6-7-12)9-3-4-9/h9-10,12H,2-8H2,1H3
InChIKeyCTTUISHFBCLPDT-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.62
Rot. Bonds8

About 3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide

3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide (PubChem CID 111113309) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
PubChem CID111113309
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN(CCO)C1CC1
InChIInChI=1S/C9H20N2O3S/c1-10-15(13,14)8-2-5-11(6-7-12)9-3-4-9/h9-10,12H,2-8H2,1H3
InChIKeyCTTUISHFBCLPDT-UHFFFAOYSA-N
XLogP-0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide (CID 111113309) is 3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCN(CCO)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide?
The InChIKey is CTTUISHFBCLPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-10-15(13,14)8-2-5-11(6-7-12)9-3-4-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide?
3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 111113309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).