3-butylsulfonyl-2-methylpropan-1-amine

C8H19NO2S — CID 64698847

IUPAC3-butylsulfonyl-2-methylpropan-1-amine
SMILESCCCCS(=O)(=O)CC(C)CN
InChIInChI=1S/C8H19NO2S/c1-3-4-5-12(10,11)7-8(2)6-9/h8H,3-7,9H2,1-2H3
InChIKeyVMZMRXVCMIQERB-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.80
Rot. Bonds6

About 3-butylsulfonyl-2-methylpropan-1-amine

3-butylsulfonyl-2-methylpropan-1-amine (PubChem CID 64698847) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-butylsulfonyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-butylsulfonyl-2-methylpropan-1-amine
PubChem CID64698847
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name3-butylsulfonyl-2-methylpropan-1-amine
SMILESCCCCS(=O)(=O)CC(C)CN
InChIInChI=1S/C8H19NO2S/c1-3-4-5-12(10,11)7-8(2)6-9/h8H,3-7,9H2,1-2H3
InChIKeyVMZMRXVCMIQERB-UHFFFAOYSA-N
XLogP0.80
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine
CID 106735833
3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine
CID 103416130
3-butylsulfonylpropan-1-amine
CID 43615632
3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide
CID 81202087
2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-amine
CID 81198035
4-(3-amino-2-methylpropyl)sulfonyl-2,2-dimethylbutanenitrile
CID 81202180
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine
CID 81189453
5-butylsulfonylpentan-1-amine
CID 64698649
N-methyl-1-pentylsulfonylpropan-2-amine
CID 107758535
1-octylsulfonylnonane
CID 19089492

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfonyl-2-methylpropan-1-amine?
The IUPAC name of 3-butylsulfonyl-2-methylpropan-1-amine (CID 64698847) is 3-butylsulfonyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-butylsulfonyl-2-methylpropan-1-amine?
The canonical SMILES for 3-butylsulfonyl-2-methylpropan-1-amine is CCCCS(=O)(=O)CC(C)CN.
What is the InChIKey of 3-butylsulfonyl-2-methylpropan-1-amine?
The InChIKey is VMZMRXVCMIQERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-3-4-5-12(10,11)7-8(2)6-9/h8H,3-7,9H2,1-2H3.
What are the key properties of 3-butylsulfonyl-2-methylpropan-1-amine?
3-butylsulfonyl-2-methylpropan-1-amine has a molecular weight of 193.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfonyl-2-methylpropan-1-amine is sourced from PubChem (CID 64698847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).