3-(3-methylbutylsulfonyl)propan-1-amine

C8H19NO2S — CID 59317374

IUPAC3-(3-methylbutylsulfonyl)propan-1-amine
SMILESCC(C)CCS(=O)(=O)CCCN
InChIInChI=1S/C8H19NO2S/c1-8(2)4-7-12(10,11)6-3-5-9/h8H,3-7,9H2,1-2H3
InChIKeyCRYZNXLZPRZUHH-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.80
Rot. Bonds6

About 3-(3-methylbutylsulfonyl)propan-1-amine

3-(3-methylbutylsulfonyl)propan-1-amine (PubChem CID 59317374) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-(3-methylbutylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylbutylsulfonyl)propan-1-amine
PubChem CID59317374
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name3-(3-methylbutylsulfonyl)propan-1-amine
SMILESCC(C)CCS(=O)(=O)CCCN
InChIInChI=1S/C8H19NO2S/c1-8(2)4-7-12(10,11)6-3-5-9/h8H,3-7,9H2,1-2H3
InChIKeyCRYZNXLZPRZUHH-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

5-(3-methylbutylsulfonyl)pentan-1-amine
CID 107767380
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
3-butylsulfonylpropan-1-amine
CID 43615632
3-(3-methylbutylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757850
3-(2-fluoropropylsulfonyl)propan-1-amine
CID 84659191
3-(2-fluoroethylsulfonyl)propan-1-amine
CID 58684365
6-(3-methylbutylsulfonyl)hexan-3-one
CID 107767963
6-methylheptan-1-amine;8-methylnonane-1-sulfonic acid
CID 175529439
5-ethylsulfonylpentan-1-amine
CID 54172156
3-[(E)-pent-3-enyl]sulfonylpropan-1-amine
CID 58684847
5-butylsulfonylpentan-1-amine
CID 64698649

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylsulfonyl)propan-1-amine?
The IUPAC name of 3-(3-methylbutylsulfonyl)propan-1-amine (CID 59317374) is 3-(3-methylbutylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(3-methylbutylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(3-methylbutylsulfonyl)propan-1-amine is CC(C)CCS(=O)(=O)CCCN.
What is the InChIKey of 3-(3-methylbutylsulfonyl)propan-1-amine?
The InChIKey is CRYZNXLZPRZUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-8(2)4-7-12(10,11)6-3-5-9/h8H,3-7,9H2,1-2H3.
What are the key properties of 3-(3-methylbutylsulfonyl)propan-1-amine?
3-(3-methylbutylsulfonyl)propan-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-(3-methylbutylsulfonyl)propan-1-amine is sourced from PubChem (CID 59317374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).