2-butylsulfonylbutan-1-amine

C8H19NO2S — CID 64698650

IUPAC2-butylsulfonylbutan-1-amine
SMILESCCCCS(=O)(=O)C(CC)CN
InChIInChI=1S/C8H19NO2S/c1-3-5-6-12(10,11)8(4-2)7-9/h8H,3-7,9H2,1-2H3
InChIKeyZMPWQKPKYYQAFO-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.94
Rot. Bonds6

About 2-butylsulfonylbutan-1-amine

2-butylsulfonylbutan-1-amine (PubChem CID 64698650) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-butylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-butylsulfonylbutan-1-amine
PubChem CID64698650
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2-butylsulfonylbutan-1-amine
SMILESCCCCS(=O)(=O)C(CC)CN
InChIInChI=1S/C8H19NO2S/c1-3-5-6-12(10,11)8(4-2)7-9/h8H,3-7,9H2,1-2H3
InChIKeyZMPWQKPKYYQAFO-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pentan-3-ylsulfonyldodecane
CID 90977253
2-(2-chloroethylsulfonyl)hexan-1-amine
CID 19834427
2-(2-methylpropylsulfonyl)butan-1-amine
CID 64696769
1-butylsulfonylethanol
CID 57246479
3-hexan-3-ylsulfonylpropane-1-sulfonamide
CID 154862764
2-butylsulfonylbutane-1,4-diol
CID 91622503
3-butylsulfonylheptan-4-amine
CID 64676333
1-[(1R)-1-chloroethyl]sulfonylbutane
CID 94036808
3-amino-2-pentylsulfonylpropanoic acid
CID 107767249
3-butylsulfonyl-2-methylpropan-1-amine
CID 64698847
2-heptan-4-ylsulfonylethanamine
CID 142872402
1-butan-2-ylsulfonylpentane
CID 159645630

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonylbutan-1-amine?
The IUPAC name of 2-butylsulfonylbutan-1-amine (CID 64698650) is 2-butylsulfonylbutan-1-amine.
What is the SMILES notation for 2-butylsulfonylbutan-1-amine?
The canonical SMILES for 2-butylsulfonylbutan-1-amine is CCCCS(=O)(=O)C(CC)CN.
What is the InChIKey of 2-butylsulfonylbutan-1-amine?
The InChIKey is ZMPWQKPKYYQAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-3-5-6-12(10,11)8(4-2)7-9/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-butylsulfonylbutan-1-amine?
2-butylsulfonylbutan-1-amine has a molecular weight of 193.31 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonylbutan-1-amine is sourced from PubChem (CID 64698650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).