2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine

C13H25NO2S — CID 64675598

IUPAC2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(CS(=O)(=O)C1CCCCC1)C1CC1
InChIInChI=1S/C13H25NO2S/c1-2-14-13(11-8-9-11)10-17(15,16)12-6-4-3-5-7-12/h11-14H,2-10H2,1H3
InChIKeyIUUOMJQZGUJWTI-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.12
Rot. Bonds6

About 2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine

2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine (PubChem CID 64675598) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine
PubChem CID64675598
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(CS(=O)(=O)C1CCCCC1)C1CC1
InChIInChI=1S/C13H25NO2S/c1-2-14-13(11-8-9-11)10-17(15,16)12-6-4-3-5-7-12/h11-14H,2-10H2,1H3
InChIKeyIUUOMJQZGUJWTI-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754135
1-cyclopentyl-N-ethyl-2-methylsulfonylethanamine
CID 115601066
1-cyclopentyl-N-ethyl-2-propylsulfonylethanamine
CID 104754033
1-cyclopentyl-N-ethyl-2-(2-methylpropylsulfonyl)ethanamine
CID 104753963
1-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylsulfonyl)ethanamine
CID 107759055
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cyclopentyl-N-ethyl-3-methylsulfonylpropan-1-amine
CID 62601414
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
N-(cyclohexylsulfonylmethyl)ethanamine
CID 117036374
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
3-cycloheptyl-1-cyclopropyl-N-ethylpropan-1-amine
CID 82924608
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine?
The IUPAC name of 2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine (CID 64675598) is 2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine is CCNC(CS(=O)(=O)C1CCCCC1)C1CC1.
What is the InChIKey of 2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine?
The InChIKey is IUUOMJQZGUJWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-2-14-13(11-8-9-11)10-17(15,16)12-6-4-3-5-7-12/h11-14H,2-10H2,1H3.
What are the key properties of 2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine?
2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine has a molecular weight of 259.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-1-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 64675598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).