3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine

C16H31NO2S — CID 106496146

IUPAC3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1S(=O)CC1CCCO1
InChIInChI=1S/C16H31NO2S/c1-4-7-17-15-10-12(2)9-13(3)16(15)20(18)11-14-6-5-8-19-14/h12-17H,4-11H2,1-3H3
InChIKeySDEGCZMIMLVWQX-UHFFFAOYSA-N
MW301.50 g/mol
LogP2.72
Rot. Bonds6

About 3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine

3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine (PubChem CID 106496146) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine
PubChem CID106496146
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1S(=O)CC1CCCO1
InChIInChI=1S/C16H31NO2S/c1-4-7-17-15-10-12(2)9-13(3)16(15)20(18)11-14-6-5-8-19-14/h12-17H,4-11H2,1-3H3
InChIKeySDEGCZMIMLVWQX-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 106496357
2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64734966
2-butylsulfinyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734774
2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 63995122
N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496313
N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine
CID 106496237
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
2-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65163066
N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496189
3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
CID 107758193
N-ethyl-4-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 62549830
6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine
CID 106808096

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine (CID 106496146) is 3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1S(=O)CC1CCCO1.
What is the InChIKey of 3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine?
The InChIKey is SDEGCZMIMLVWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-4-7-17-15-10-12(2)9-13(3)16(15)20(18)11-14-6-5-8-19-14/h12-17H,4-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine?
3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106496146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).