[2-methylsulfonylethyl(propyl)amino]methanol

C7H17NO3S — CID 174108429

IUPAC[2-methylsulfonylethyl(propyl)amino]methanol
SMILESCCCN(CO)CCS(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-3-4-8(7-9)5-6-12(2,10)11/h9H,3-7H2,1-2H3
InChIKeyDTMLGLRYQZQKFN-UHFFFAOYSA-N
MW195.28 g/mol
LogP-0.31
Rot. Bonds6

About [2-methylsulfonylethyl(propyl)amino]methanol

[2-methylsulfonylethyl(propyl)amino]methanol (PubChem CID 174108429) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is [2-methylsulfonylethyl(propyl)amino]methanol.

Molecular Properties

Compound Name[2-methylsulfonylethyl(propyl)amino]methanol
PubChem CID174108429
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name[2-methylsulfonylethyl(propyl)amino]methanol
SMILESCCCN(CO)CCS(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-3-4-8(7-9)5-6-12(2,10)11/h9H,3-7H2,1-2H3
InChIKeyDTMLGLRYQZQKFN-UHFFFAOYSA-N
XLogP-0.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-methylsulfonylethanamine
CID 11435289
[methyl(2-methylsulfonylethyl)amino]methanol
CID 174115571
N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine
CID 62574298
N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine
CID 123613285
N-(hydroxymethyl)-N-propylmethanesulfonamide
CID 90392308
N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
CID 123795315
2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol
CID 174108432
1-[hydroxymethyl(propyl)amino]propan-2-ol
CID 22642440
N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 59762109
N-methyl-3-methylsulfonyl-N-propylpropanamide
CID 86865992
2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
CID 63196306
N,N-dibutyl-4-methylsulfonylbutan-1-amine
CID 58058792

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfonylethyl(propyl)amino]methanol?
The IUPAC name of [2-methylsulfonylethyl(propyl)amino]methanol (CID 174108429) is [2-methylsulfonylethyl(propyl)amino]methanol.
What is the SMILES notation for [2-methylsulfonylethyl(propyl)amino]methanol?
The canonical SMILES for [2-methylsulfonylethyl(propyl)amino]methanol is CCCN(CO)CCS(C)(=O)=O.
What is the InChIKey of [2-methylsulfonylethyl(propyl)amino]methanol?
The InChIKey is DTMLGLRYQZQKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-3-4-8(7-9)5-6-12(2,10)11/h9H,3-7H2,1-2H3.
What are the key properties of [2-methylsulfonylethyl(propyl)amino]methanol?
[2-methylsulfonylethyl(propyl)amino]methanol has a molecular weight of 195.28 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfonylethyl(propyl)amino]methanol is sourced from PubChem (CID 174108429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).