1-butylsulfonyl-N-methylmethanamine

C6H15NO2S — CID 163574790

IUPAC1-butylsulfonyl-N-methylmethanamine
SMILESCCCCS(=O)(=O)CNC
InChIInChI=1S/C6H15NO2S/c1-3-4-5-10(8,9)6-7-2/h7H,3-6H2,1-2H3
InChIKeyGCNINOXMCPOGFV-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.38
Rot. Bonds5

About 1-butylsulfonyl-N-methylmethanamine

1-butylsulfonyl-N-methylmethanamine (PubChem CID 163574790) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 1-butylsulfonyl-N-methylmethanamine.

Molecular Properties

Compound Name1-butylsulfonyl-N-methylmethanamine
PubChem CID163574790
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name1-butylsulfonyl-N-methylmethanamine
SMILESCCCCS(=O)(=O)CNC
InChIInChI=1S/C6H15NO2S/c1-3-4-5-10(8,9)6-7-2/h7H,3-6H2,1-2H3
InChIKeyGCNINOXMCPOGFV-UHFFFAOYSA-N
XLogP0.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butylsulfonyl-N-methylbutan-1-amine
CID 106512531
calcium;1-butylsulfonylbutane;dichloride
CID 174621632
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
3-butylsulfonylpropan-1-amine
CID 43615632
N-methylbutane-1-sulfonamide;hydrochloride
CID 141278218
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
CID 175918224
CID 175918224
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
4-butylsulfonylbutan-1-ol
CID 12943305
N-methyl-1-pentylsulfonylpropan-2-amine
CID 107758535
1-(2,2,2-trifluoroethylsulfonyl)butane
CID 13096090

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-methylmethanamine?
The IUPAC name of 1-butylsulfonyl-N-methylmethanamine (CID 163574790) is 1-butylsulfonyl-N-methylmethanamine.
What is the SMILES notation for 1-butylsulfonyl-N-methylmethanamine?
The canonical SMILES for 1-butylsulfonyl-N-methylmethanamine is CCCCS(=O)(=O)CNC.
What is the InChIKey of 1-butylsulfonyl-N-methylmethanamine?
The InChIKey is GCNINOXMCPOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-3-4-5-10(8,9)6-7-2/h7H,3-6H2,1-2H3.
What are the key properties of 1-butylsulfonyl-N-methylmethanamine?
1-butylsulfonyl-N-methylmethanamine has a molecular weight of 165.26 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-methylmethanamine is sourced from PubChem (CID 163574790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).