3-butylsulfonylheptan-4-amine

C11H25NO2S — CID 64676333

IUPAC3-butylsulfonylheptan-4-amine
SMILESCCCCS(=O)(=O)C(CC)C(N)CCC
InChIInChI=1S/C11H25NO2S/c1-4-7-9-15(13,14)11(6-3)10(12)8-5-2/h10-11H,4-9,12H2,1-3H3
InChIKeyHLURDHYEXYNGNY-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.11
Rot. Bonds8

About 3-butylsulfonylheptan-4-amine

3-butylsulfonylheptan-4-amine (PubChem CID 64676333) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 3-butylsulfonylheptan-4-amine.

Molecular Properties

Compound Name3-butylsulfonylheptan-4-amine
PubChem CID64676333
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name3-butylsulfonylheptan-4-amine
SMILESCCCCS(=O)(=O)C(CC)C(N)CCC
InChIInChI=1S/C11H25NO2S/c1-4-7-9-15(13,14)11(6-3)10(12)8-5-2/h10-11H,4-9,12H2,1-3H3
InChIKeyHLURDHYEXYNGNY-UHFFFAOYSA-N
XLogP2.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butylsulfonylbutan-1-amine
CID 64698650
3-hexan-3-ylsulfonylpropane-1-sulfonamide
CID 154862764
hexadecane-4,5-diamine
CID 57310882
1-butan-2-ylsulfonylpentane
CID 159645630
1-ethylsulfonyl-5-methyloctan-4-amine
CID 115865333
(4R,5R)-octane-4,5-diamine
CID 13138963
butane-1-sulfonamide;dihydrochloride
CID 140980497
CID 175918224
CID 175918224
8-propan-2-ylsulfonyloctan-4-amine
CID 106732205
1-butylsulfonylethanol
CID 57246479
1-[(1R)-1-chloroethyl]sulfonylbutane
CID 94036808
3-pentylsulfonylbutan-2-amine
CID 107758703

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfonylheptan-4-amine?
The IUPAC name of 3-butylsulfonylheptan-4-amine (CID 64676333) is 3-butylsulfonylheptan-4-amine.
What is the SMILES notation for 3-butylsulfonylheptan-4-amine?
The canonical SMILES for 3-butylsulfonylheptan-4-amine is CCCCS(=O)(=O)C(CC)C(N)CCC.
What is the InChIKey of 3-butylsulfonylheptan-4-amine?
The InChIKey is HLURDHYEXYNGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-4-7-9-15(13,14)11(6-3)10(12)8-5-2/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 3-butylsulfonylheptan-4-amine?
3-butylsulfonylheptan-4-amine has a molecular weight of 235.39 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfonylheptan-4-amine is sourced from PubChem (CID 64676333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).