3-(fluoromethylsulfonyl)propan-1-amine

C4H10FNO2S — CID 84650161

IUPAC3-(fluoromethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CF
InChIInChI=1S/C4H10FNO2S/c5-4-9(7,8)3-1-2-6/h1-4,6H2
InChIKeyLGSHDQRHSGZXLT-UHFFFAOYSA-N
MW155.19 g/mol
LogP-0.32
Rot. Bonds4

About 3-(fluoromethylsulfonyl)propan-1-amine

3-(fluoromethylsulfonyl)propan-1-amine (PubChem CID 84650161) has the molecular formula C4H10FNO2S and a molecular weight of 155.19 g/mol. Its IUPAC name is 3-(fluoromethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(fluoromethylsulfonyl)propan-1-amine
PubChem CID84650161
Molecular FormulaC4H10FNO2S
Molecular Weight155.19 g/mol
Exact Mass155.04
IUPAC Name3-(fluoromethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CF
InChIInChI=1S/C4H10FNO2S/c5-4-9(7,8)3-1-2-6/h1-4,6H2
InChIKeyLGSHDQRHSGZXLT-UHFFFAOYSA-N
XLogP-0.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methanesulfonylbutan-2-amine
CID 23562465
3-(Methylsulfonyl)propan-1-amine
CID 21949286
Methylsulfonylbutylamine
CID 191144
2-Methanesulfonylpropan-1-amine
CID 54446112
3-Methanesulfonylpropan-1-amine hydrochloride
CID 21949285
3-(Ethanesulfonyl)propan-1-amine hydrochloride
CID 23089204
3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
4-Methanesulfonyl-butylamine
CID 191145
3-(Ethanesulfonyl)propan-1-amine
CID 21458690
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
3,3'-Sulfonylbis(1-propanamine)
CID 14585888
3-ethenylsulfonyl-N-fluoropropan-1-amine
CID 53898613

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethylsulfonyl)propan-1-amine?
The IUPAC name of 3-(fluoromethylsulfonyl)propan-1-amine (CID 84650161) is 3-(fluoromethylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(fluoromethylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(fluoromethylsulfonyl)propan-1-amine is NCCCS(=O)(=O)CF.
What is the InChIKey of 3-(fluoromethylsulfonyl)propan-1-amine?
The InChIKey is LGSHDQRHSGZXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO2S/c5-4-9(7,8)3-1-2-6/h1-4,6H2.
What are the key properties of 3-(fluoromethylsulfonyl)propan-1-amine?
3-(fluoromethylsulfonyl)propan-1-amine has a molecular weight of 155.19 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethylsulfonyl)propan-1-amine is sourced from PubChem (CID 84650161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).