3-ethylsulfonylpropan-1-amine

C5H13NO2S — CID 21458690

IUPAC3-ethylsulfonylpropan-1-amine
SMILESCCS(=O)(=O)CCCN
InChIInChI=1S/C5H13NO2S/c1-2-9(7,8)5-3-4-6/h2-6H2,1H3
InChIKeyUDZUCQFIJDKVQY-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.23
Rot. Bonds4

About 3-ethylsulfonylpropan-1-amine

3-ethylsulfonylpropan-1-amine (PubChem CID 21458690) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 3-ethylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-ethylsulfonylpropan-1-amine
PubChem CID21458690
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name3-ethylsulfonylpropan-1-amine
SMILESCCS(=O)(=O)CCCN
InChIInChI=1S/C5H13NO2S/c1-2-9(7,8)5-3-4-6/h2-6H2,1H3
InChIKeyUDZUCQFIJDKVQY-UHFFFAOYSA-N
XLogP-0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Thiophenamine, tetrahydro-, 1,1-dioxide
CID 22807
4-Methanesulfonylbutan-2-amine
CID 23562465
2-(Methylsulfonyl)ethanamine
CID 4340561
3-(Methylsulfonyl)propan-1-amine
CID 21949286
Methylsulfonylbutylamine
CID 191144
2-Methanesulfonylpropan-1-amine
CID 54446112
3-(3-Aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
4-Methanesulfinylbutan-1-amine
CID 12981639
2-(Ethanesulfonyl)ethan-1-amine
CID 21217861
3-Methanesulfonylpropan-1-amine hydrochloride
CID 21949285
3-(Ethanesulfonyl)propan-1-amine hydrochloride
CID 23089204
2-Methanesulfinylpropan-1-amine
CID 53806283

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonylpropan-1-amine?
The IUPAC name of 3-ethylsulfonylpropan-1-amine (CID 21458690) is 3-ethylsulfonylpropan-1-amine.
What is the SMILES notation for 3-ethylsulfonylpropan-1-amine?
The canonical SMILES for 3-ethylsulfonylpropan-1-amine is CCS(=O)(=O)CCCN.
What is the InChIKey of 3-ethylsulfonylpropan-1-amine?
The InChIKey is UDZUCQFIJDKVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-2-9(7,8)5-3-4-6/h2-6H2,1H3.
What are the key properties of 3-ethylsulfonylpropan-1-amine?
3-ethylsulfonylpropan-1-amine has a molecular weight of 151.23 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonylpropan-1-amine is sourced from PubChem (CID 21458690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).