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

C7H16N2O2S — CID 60919256

IUPAC1-(2-methylsulfonylethyl)pyrrolidin-3-amine
SMILESCS(=O)(=O)CCN1CCC(N)C1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)5-4-9-3-2-7(8)6-9/h7H,2-6,8H2,1H3
InChIKeyIVHNPPCMQPYYIM-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.94
Rot. Bonds3

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

1-(2-methylsulfonylethyl)pyrrolidin-3-amine (PubChem CID 60919256) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)pyrrolidin-3-amine
PubChem CID60919256
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-(2-methylsulfonylethyl)pyrrolidin-3-amine
SMILESCS(=O)(=O)CCN1CCC(N)C1
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)5-4-9-3-2-7(8)6-9/h7H,2-6,8H2,1H3
InChIKeyIVHNPPCMQPYYIM-UHFFFAOYSA-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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Related Compounds

N'-(1,1-Dioxidotetrahydrothien-3-Yl)-N,N-Diethylethane-1,2-Diamine
CID 16226707
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide
CID 91922807
N-(Pyrrolidin-3-yl)propane-1-sulfonamide
CID 43602878
3-Amino-4-(pyrrolidin-1-yl)-1lambda6-thiolane-1,1-dione
CID 47003157
3-(Aminomethyl)-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 129982016
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 3131596
N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide
CID 95322394
2-[(3R)-3-aminopyrrolidin-1-yl]-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
CID 112740832
2-[(3S)-3-aminopyrrolidin-1-yl]-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
CID 112740833
3-((2-(Diisopropylamino)ethyl)amino)tetrahydrothiophene 1,1-dioxide
CID 4962282
N-(1-methylpyrrolidin-3-yl)methanesulfonamide
CID 18723366
4-Methylsulfinylpyrrolidin-3-amine
CID 20078022

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-methylsulfonylethyl)pyrrolidin-3-amine (CID 60919256) is 1-(2-methylsulfonylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-methylsulfonylethyl)pyrrolidin-3-amine is CS(=O)(=O)CCN1CCC(N)C1.
What is the InChIKey of 1-(2-methylsulfonylethyl)pyrrolidin-3-amine?
The InChIKey is IVHNPPCMQPYYIM-UHFFFAOYSA-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.
What are the key properties of 1-(2-methylsulfonylethyl)pyrrolidin-3-amine?
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 1-(2-methylsulfonylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 60919256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).