(3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine

C7H16N2O2S — CID 67498526

IUPAC(3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine
SMILESCS(=O)(=O)CCN1CC[C@H](N)C1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)5-4-9-3-2-7(8)6-9/h7H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyIVHNPPCMQPYYIM-ZETCQYMHSA-N
MW192.28 g/mol
LogP-0.94
Rot. Bonds3

About (3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine

(3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine (PubChem CID 67498526) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine
PubChem CID67498526
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine
SMILESCS(=O)(=O)CCN1CC[C@H](N)C1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)5-4-9-3-2-7(8)6-9/h7H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyIVHNPPCMQPYYIM-ZETCQYMHSA-N
XLogP-0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine (CID 67498526) is (3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine is CS(=O)(=O)CCN1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine?
The InChIKey is IVHNPPCMQPYYIM-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-12(10,11)5-4-9-3-2-7(8)6-9/h7H,2-6,8H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine?
(3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine has a molecular weight of 192.28 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 67498526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).