N-butyl-N-(2-hydroxyethyl)methanesulfonamide

C7H17NO3S — CID 61447965

IUPACN-butyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCN(CCO)S(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-3-4-5-8(6-7-9)12(2,10)11/h9H,3-7H2,1-2H3
InChIKeyIUVDPBFMYXXRSX-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.04
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)methanesulfonamide

N-butyl-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 61447965) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID61447965
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-butyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCN(CCO)S(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-3-4-5-8(6-7-9)12(2,10)11/h9H,3-7H2,1-2H3
InChIKeyIUVDPBFMYXXRSX-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)methanesulfonamide (CID 61447965) is N-butyl-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)methanesulfonamide is CCCCN(CCO)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is IUVDPBFMYXXRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-3-4-5-8(6-7-9)12(2,10)11/h9H,3-7H2,1-2H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)methanesulfonamide?
N-butyl-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 61447965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).