N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine

C12H23NO2S — CID 106496189

IUPACN-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)CC1CCCO1
InChIInChI=1S/C12H23NO2S/c1-13-11-6-2-3-7-12(11)16(14)9-10-5-4-8-15-10/h10-13H,2-9H2,1H3
InChIKeyDFCMXTBJDLVHBR-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.44
Rot. Bonds4

About N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine

N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine (PubChem CID 106496189) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
PubChem CID106496189
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)CC1CCCO1
InChIInChI=1S/C12H23NO2S/c1-13-11-6-2-3-7-12(11)16(14)9-10-5-4-8-15-10/h10-13H,2-9H2,1H3
InChIKeyDFCMXTBJDLVHBR-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine
CID 106496237
N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496366
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496336
N-methyl-2-propylsulfinylcyclohexan-1-amine
CID 64651955
N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496313
2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 106496357
N-ethyl-7-(oxolan-2-ylmethylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106496216
N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine
CID 107760075
2-benzylsulfinyl-N-methylcyclooctan-1-amine
CID 64658739
N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine
CID 64656403
3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine
CID 106496146
methyl 3-(oxolan-2-ylmethylsulfinyl)butanoate
CID 66115323

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine (CID 106496189) is N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine is CNC1CCCCC1S(=O)CC1CCCO1.
What is the InChIKey of N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine?
The InChIKey is DFCMXTBJDLVHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-13-11-6-2-3-7-12(11)16(14)9-10-5-4-8-15-10/h10-13H,2-9H2,1H3.
What are the key properties of N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine?
N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine is sourced from PubChem (CID 106496189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).