3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine

C14H27NO3S — CID 107758035

IUPAC3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)(=O)C2CCOC2C)C1
InChIInChI=1S/C14H27NO3S/c1-3-8-15-12-5-4-6-13(10-12)19(16,17)14-7-9-18-11(14)2/h11-15H,3-10H2,1-2H3
InChIKeySMKCKQSWJPPQGH-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.89
Rot. Bonds5

About 3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine

3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine (PubChem CID 107758035) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
PubChem CID107758035
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)(=O)C2CCOC2C)C1
InChIInChI=1S/C14H27NO3S/c1-3-8-15-12-5-4-6-13(10-12)19(16,17)14-7-9-18-11(14)2/h11-15H,3-10H2,1-2H3
InChIKeySMKCKQSWJPPQGH-UHFFFAOYSA-N
XLogP1.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine (CID 107758035) is 3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine is CCCNC1CCCC(S(=O)(=O)C2CCOC2C)C1.
What is the InChIKey of 3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine?
The InChIKey is SMKCKQSWJPPQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-3-8-15-12-5-4-6-13(10-12)19(16,17)14-7-9-18-11(14)2/h11-15H,3-10H2,1-2H3.
What are the key properties of 3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine?
3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107758035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).