N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine

C14H27NO2S — CID 64674734

IUPACN-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)CC1CCCC1)C1CC1
InChIInChI=1S/C14H27NO2S/c1-2-9-15-14(13-7-8-13)11-18(16,17)10-12-5-3-4-6-12/h12-15H,2-11H2,1H3
InChIKeyXZDIVQCSKBATOX-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.37
Rot. Bonds8

About N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine

N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine (PubChem CID 64674734) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine
PubChem CID64674734
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)CC1CCCC1)C1CC1
InChIInChI=1S/C14H27NO2S/c1-2-9-15-14(13-7-8-13)11-18(16,17)10-12-5-3-4-6-12/h12-15H,2-11H2,1H3
InChIKeyXZDIVQCSKBATOX-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine
CID 104754263
N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine
CID 104754032
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602
2-[2-cyclopentyl-2-(propylamino)ethyl]sulfonylacetamide
CID 114231996
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine
CID 104754033
6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine
CID 106807857
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
1-(cyclopentylmethylsulfonyl)-N-methylpentan-2-amine
CID 64674910
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
N-[2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopropylethyl]propan-1-amine
CID 103290116
1-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine
CID 64676293

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine (CID 64674734) is N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine is CCCNC(CS(=O)(=O)CC1CCCC1)C1CC1.
What is the InChIKey of N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine?
The InChIKey is XZDIVQCSKBATOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-2-9-15-14(13-7-8-13)11-18(16,17)10-12-5-3-4-6-12/h12-15H,2-11H2,1H3.
What are the key properties of N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine?
N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 64674734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).