N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine

C11H23NO2S — CID 64676476

IUPACN-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine
SMILESCC(C)NCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C11H23NO2S/c1-10(2)12-7-8-15(13,14)9-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3
InChIKeyRLKJLWFYWYGWMD-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds6

About N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine

N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine (PubChem CID 64676476) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine
PubChem CID64676476
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine
SMILESCC(C)NCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C11H23NO2S/c1-10(2)12-7-8-15(13,14)9-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3
InChIKeyRLKJLWFYWYGWMD-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine
CID 106513471
N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine
CID 106513532
4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine
CID 64674727
2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane
CID 71977091
N-(2-cyclohexylsulfonylethyl)propan-2-amine
CID 64676192
6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine
CID 106807857
5-(cyclopentylmethylsulfonyl)pentan-2-amine
CID 64676281
(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699
2-chloroethylsulfonylmethylcyclopentane
CID 63118869
N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine
CID 64645030
4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine
CID 106512843
N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine
CID 106513528

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine (CID 64676476) is N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine is CC(C)NCCS(=O)(=O)CC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine?
The InChIKey is RLKJLWFYWYGWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2)12-7-8-15(13,14)9-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine?
N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine is sourced from PubChem (CID 64676476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).