3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine

C16H31NO3S — CID 107758193

IUPAC3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1S(=O)(=O)C1CCOC1C
InChIInChI=1S/C16H31NO3S/c1-5-7-17-14-10-11(2)9-12(3)16(14)21(18,19)15-6-8-20-13(15)4/h11-17H,5-10H2,1-4H3
InChIKeyZYABVZKQLLRVOS-UHFFFAOYSA-N
MW317.50 g/mol
LogP2.38
Rot. Bonds5

About 3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine

3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine (PubChem CID 107758193) has the molecular formula C16H31NO3S and a molecular weight of 317.50 g/mol. Its IUPAC name is 3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
PubChem CID107758193
Molecular FormulaC16H31NO3S
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC Name3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1S(=O)(=O)C1CCOC1C
InChIInChI=1S/C16H31NO3S/c1-5-7-17-14-10-11(2)9-12(3)16(14)21(18,19)15-6-8-20-13(15)4/h11-17H,5-10H2,1-4H3
InChIKeyZYABVZKQLLRVOS-UHFFFAOYSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine
CID 107758146
3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64752897
3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
CID 107758035
2-methyl-N-propyloxolan-3-amine;hydrochloride
CID 146154013
3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine
CID 107759815
4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
CID 62784580
N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64751898
3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine
CID 106496146
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752539
(2S,3R)-2-methyl-N-pentyloxolan-3-amine
CID 97358110
2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64753287
2-cyclobutyloxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752391

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine (CID 107758193) is 3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1S(=O)(=O)C1CCOC1C.
What is the InChIKey of 3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine?
The InChIKey is ZYABVZKQLLRVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3S/c1-5-7-17-14-10-11(2)9-12(3)16(14)21(18,19)15-6-8-20-13(15)4/h11-17H,5-10H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine?
3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine has a molecular weight of 317.50 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107758193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).