3-(2-methylpropylsulfonyl)propan-1-amine

C7H17NO2S — CID 43444510

IUPAC3-(2-methylpropylsulfonyl)propan-1-amine
SMILESCC(C)CS(=O)(=O)CCCN
InChIInChI=1S/C7H17NO2S/c1-7(2)6-11(9,10)5-3-4-8/h7H,3-6,8H2,1-2H3
InChIKeyVVKQONTTZXPWMW-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.41
Rot. Bonds5

About 3-(2-methylpropylsulfonyl)propan-1-amine

3-(2-methylpropylsulfonyl)propan-1-amine (PubChem CID 43444510) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 3-(2-methylpropylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropylsulfonyl)propan-1-amine
PubChem CID43444510
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name3-(2-methylpropylsulfonyl)propan-1-amine
SMILESCC(C)CS(=O)(=O)CCCN
InChIInChI=1S/C7H17NO2S/c1-7(2)6-11(9,10)5-3-4-8/h7H,3-6,8H2,1-2H3
InChIKeyVVKQONTTZXPWMW-UHFFFAOYSA-N
XLogP0.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoropropylsulfonyl)propan-1-amine
CID 84659191
3-(3-methylbutylsulfonyl)propan-1-amine
CID 59317374
1-bromo-4-(2-methylpropylsulfonyl)butane
CID 43444502
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
1-chloro-5-(2-methylpropylsulfonyl)pentane
CID 43444500
1-bromo-9-(2-methylpropylsulfonyl)nonane
CID 105343521
5-(3-methylbutylsulfonyl)pentan-1-amine
CID 107767380
3-butylsulfonylpropan-1-amine
CID 43615632
2-(2-methylpropylsulfonyl)ethanol
CID 22979545
2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine
CID 65257088
3-(2-fluoroethylsulfonyl)propan-1-amine
CID 58684365
5-ethylsulfonylpentan-1-amine
CID 54172156

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfonyl)propan-1-amine?
The IUPAC name of 3-(2-methylpropylsulfonyl)propan-1-amine (CID 43444510) is 3-(2-methylpropylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpropylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(2-methylpropylsulfonyl)propan-1-amine is CC(C)CS(=O)(=O)CCCN.
What is the InChIKey of 3-(2-methylpropylsulfonyl)propan-1-amine?
The InChIKey is VVKQONTTZXPWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(2)6-11(9,10)5-3-4-8/h7H,3-6,8H2,1-2H3.
What are the key properties of 3-(2-methylpropylsulfonyl)propan-1-amine?
3-(2-methylpropylsulfonyl)propan-1-amine has a molecular weight of 179.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfonyl)propan-1-amine is sourced from PubChem (CID 43444510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).