2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine

C11H21NO2S — CID 65493261

IUPAC2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine
SMILESNCCC1(CS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C11H21NO2S/c12-8-7-11(5-6-11)9-15(13,14)10-3-1-2-4-10/h10H,1-9,12H2
InChIKeyFYPGYFHQNMUPNQ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.47
Rot. Bonds5

About 2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine

2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine (PubChem CID 65493261) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine
PubChem CID65493261
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine
SMILESNCCC1(CS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C11H21NO2S/c12-8-7-11(5-6-11)9-15(13,14)10-3-1-2-4-10/h10H,1-9,12H2
InChIKeyFYPGYFHQNMUPNQ-UHFFFAOYSA-N
XLogP1.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 115026482
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CID 62723305
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CID 62724308
CID 62724308
CID 62725091
CID 62725091
CID 63166258
CID 63166258
CID 64675482
CID 64675482
CID 64698882
CID 64698882
CID 64699293
CID 64699293
CID 65256775
CID 65256775
CID 65262693
CID 65262693
CID 65262743
CID 65262743
CID 65492021
CID 65492021

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine?
The IUPAC name of 2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine (CID 65493261) is 2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine is NCCC1(CS(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of 2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine?
The InChIKey is FYPGYFHQNMUPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c12-8-7-11(5-6-11)9-15(13,14)10-3-1-2-4-10/h10H,1-9,12H2.
What are the key properties of 2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine?
2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine has a molecular weight of 231.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine is sourced from PubChem (CID 65493261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).