4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine

C12H25NO2S — CID 106727298

IUPAC4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine
SMILESCNC(CCCS(=O)(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C12H25NO2S/c1-12(2,3)16(14,15)9-5-6-11(13-4)10-7-8-10/h10-11,13H,5-9H2,1-4H3
InChIKeyVSQOUAXWYFZGGR-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds6

About 4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine

4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine (PubChem CID 106727298) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine
PubChem CID106727298
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine
SMILESCNC(CCCS(=O)(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C12H25NO2S/c1-12(2,3)16(14,15)9-5-6-11(13-4)10-7-8-10/h10-11,13H,5-9H2,1-4H3
InChIKeyVSQOUAXWYFZGGR-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106727336
(1-bromo-5-tert-butylsulfonylpentyl)cyclopropane
CID 106732544
4-ethylsulfonyl-N-methyl-1-(oxan-4-yl)butan-1-amine
CID 65334809
1-(4-tert-butylcyclohexyl)-N-methylpentan-1-amine
CID 65402958
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820245
4-bromo-1-tert-butylsulfonylhexane
CID 106729129
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine
CID 115677017
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174
N,5-dimethyl-1-(4-methylcyclohexyl)hexan-1-amine
CID 83161350
4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine
CID 65332408
tert-butyl 4-cyclopropyl-4-(methylamino)butanoate
CID 58488469

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine?
The IUPAC name of 4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine (CID 106727298) is 4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine.
What is the SMILES notation for 4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine?
The canonical SMILES for 4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine is CNC(CCCS(=O)(=O)C(C)(C)C)C1CC1.
What is the InChIKey of 4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine?
The InChIKey is VSQOUAXWYFZGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-12(2,3)16(14,15)9-5-6-11(13-4)10-7-8-10/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine?
4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine is sourced from PubChem (CID 106727298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).