2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine

C17H33NO2S — CID 106496357

IUPAC2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1S(=O)CC1CCCO1
InChIInChI=1S/C17H33NO2S/c1-3-6-14-8-9-16(18-10-4-2)17(12-14)21(19)13-15-7-5-11-20-15/h14-18H,3-13H2,1-2H3
InChIKeyFGANYMXWXIJNRS-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.25
Rot. Bonds8

About 2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine

2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine (PubChem CID 106496357) has the molecular formula C17H33NO2S and a molecular weight of 315.52 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine
PubChem CID106496357
Molecular FormulaC17H33NO2S
Molecular Weight315.52 g/mol
Exact Mass315.22
IUPAC Name2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1S(=O)CC1CCCO1
InChIInChI=1S/C17H33NO2S/c1-3-6-14-8-9-16(18-10-4-2)17(12-14)21(19)13-15-7-5-11-20-15/h14-18H,3-13H2,1-2H3
InChIKeyFGANYMXWXIJNRS-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 64651231
N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496313
3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine
CID 106496146
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496336
N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine
CID 106496237
N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496189
2-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65163066
2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
CID 64651091
N-ethyl-7-(oxolan-2-ylmethylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106496216
N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine
CID 64655043
2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine
CID 64656792
2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
CID 64651470

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine?
The IUPAC name of 2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine (CID 106496357) is 2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine is CCCNC1CCC(CCC)CC1S(=O)CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine?
The InChIKey is FGANYMXWXIJNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S/c1-3-6-14-8-9-16(18-10-4-2)17(12-14)21(19)13-15-7-5-11-20-15/h14-18H,3-13H2,1-2H3.
What are the key properties of 2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine?
2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine has a molecular weight of 315.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine is sourced from PubChem (CID 106496357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).