(1-ethylsulfonylpyrrolidin-3-yl)methanamine

C7H16N2O2S — CID 62063041

IUPAC(1-ethylsulfonylpyrrolidin-3-yl)methanamine
SMILESCCS(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C7H16N2O2S/c1-2-12(10,11)9-4-3-7(5-8)6-9/h7H,2-6,8H2,1H3
InChIKeyNHRYXJAIGULOMQ-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.38
Rot. Bonds3

About (1-ethylsulfonylpyrrolidin-3-yl)methanamine

(1-ethylsulfonylpyrrolidin-3-yl)methanamine (PubChem CID 62063041) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (1-ethylsulfonylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethylsulfonylpyrrolidin-3-yl)methanamine
PubChem CID62063041
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(1-ethylsulfonylpyrrolidin-3-yl)methanamine
SMILESCCS(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C7H16N2O2S/c1-2-12(10,11)9-4-3-7(5-8)6-9/h7H,2-6,8H2,1H3
InChIKeyNHRYXJAIGULOMQ-UHFFFAOYSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1-ethylsulfonylpyrrolidin-3-yl)methanamine (CID 62063041) is (1-ethylsulfonylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1-ethylsulfonylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1-ethylsulfonylpyrrolidin-3-yl)methanamine is CCS(=O)(=O)N1CCC(CN)C1.
What is the InChIKey of (1-ethylsulfonylpyrrolidin-3-yl)methanamine?
The InChIKey is NHRYXJAIGULOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-12(10,11)9-4-3-7(5-8)6-9/h7H,2-6,8H2,1H3.
What are the key properties of (1-ethylsulfonylpyrrolidin-3-yl)methanamine?
(1-ethylsulfonylpyrrolidin-3-yl)methanamine has a molecular weight of 192.28 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 62063041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).