3-butylsulfonylpropan-1-amine

C7H17NO2S — CID 43615632

IUPAC3-butylsulfonylpropan-1-amine
SMILESCCCCS(=O)(=O)CCCN
InChIInChI=1S/C7H17NO2S/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3
InChIKeyULWDEVHKOHKMIH-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.55
Rot. Bonds6

About 3-butylsulfonylpropan-1-amine

3-butylsulfonylpropan-1-amine (PubChem CID 43615632) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 3-butylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-butylsulfonylpropan-1-amine
PubChem CID43615632
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name3-butylsulfonylpropan-1-amine
SMILESCCCCS(=O)(=O)CCCN
InChIInChI=1S/C7H17NO2S/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3
InChIKeyULWDEVHKOHKMIH-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butylsulfonylpentan-1-amine
CID 64698649
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
calcium;1-butylsulfonylbutane;dichloride
CID 174621632
5-ethylsulfonylpentan-1-amine
CID 54172156
3-(2-fluoroethylsulfonyl)propan-1-amine
CID 58684365
butan-1-amine;butane-1-sulfonic acid
CID 159596824
1-octylsulfonylnonane
CID 19089492
3-(3-methylbutylsulfonyl)propan-1-amine
CID 59317374
4-butylsulfonylbutan-1-ol
CID 12943305
2-propylsulfonylethanamine;hydrochloride
CID 87608994
butan-1-amine;sulfuryl dichloride;hydrochloride
CID 159395849
3-butylsulfonyl-2-methylpropan-1-amine
CID 64698847

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfonylpropan-1-amine?
The IUPAC name of 3-butylsulfonylpropan-1-amine (CID 43615632) is 3-butylsulfonylpropan-1-amine.
What is the SMILES notation for 3-butylsulfonylpropan-1-amine?
The canonical SMILES for 3-butylsulfonylpropan-1-amine is CCCCS(=O)(=O)CCCN.
What is the InChIKey of 3-butylsulfonylpropan-1-amine?
The InChIKey is ULWDEVHKOHKMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3.
What are the key properties of 3-butylsulfonylpropan-1-amine?
3-butylsulfonylpropan-1-amine has a molecular weight of 179.28 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfonylpropan-1-amine is sourced from PubChem (CID 43615632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).