1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine

C13H26N2O2S — CID 103976134

IUPAC1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)CC2CCCCC2)C1
InChIInChI=1S/C13H26N2O2S/c1-11(14)13-7-8-15(9-13)18(16,17)10-12-5-3-2-4-6-12/h11-13H,2-10,14H2,1H3
InChIKeyMCSWDWBNIVZETC-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.57
Rot. Bonds4

About 1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine

1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine (PubChem CID 103976134) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine
PubChem CID103976134
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)CC2CCCCC2)C1
InChIInChI=1S/C13H26N2O2S/c1-11(14)13-7-8-15(9-13)18(16,17)10-12-5-3-2-4-6-12/h11-13H,2-10,14H2,1H3
InChIKeyMCSWDWBNIVZETC-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine
CID 63853138
1-[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 103976089
1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine
CID 119974611
1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine
CID 113360742
4-chloro-1-(cyclohexylmethylsulfonyl)piperidine
CID 63396715
1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120715396
1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine
CID 127491617
1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 119974695
3-(1-aminoethyl)-N,N-diethylpiperidine-1-sulfonamide
CID 63854361
1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine
CID 63595516
1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine (CID 103976134) is 1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(S(=O)(=O)CC2CCCCC2)C1.
What is the InChIKey of 1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is MCSWDWBNIVZETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-11(14)13-7-8-15(9-13)18(16,17)10-12-5-3-2-4-6-12/h11-13H,2-10,14H2,1H3.
What are the key properties of 1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine?
1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 274.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103976134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).