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

C12H23NO2S — CID 106496237

IUPACN,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine
SMILESCNC1CCC(S(=O)CC2CCCO2)C1C
InChIInChI=1S/C12H23NO2S/c1-9-11(13-2)5-6-12(9)16(14)8-10-4-3-7-15-10/h9-13H,3-8H2,1-2H3
InChIKeySOUJVXQKWBBNBM-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.30
Rot. Bonds4

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

N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine (PubChem CID 106496237) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine
PubChem CID106496237
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine
SMILESCNC1CCC(S(=O)CC2CCCO2)C1C
InChIInChI=1S/C12H23NO2S/c1-9-11(13-2)5-6-12(9)16(14)8-10-4-3-7-15-10/h9-13H,3-8H2,1-2H3
InChIKeySOUJVXQKWBBNBM-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496189
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496336
N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496366
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
3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine
CID 106496146
2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64908944
methyl 3-(oxolan-2-ylmethylsulfinyl)butanoate
CID 66115323
(2R,3S)-N,2-dimethyloxan-3-amine
CID 129044536
3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one
CID 106497199
N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine
CID 106496296

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine?
The IUPAC name of N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine (CID 106496237) is N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine is CNC1CCC(S(=O)CC2CCCO2)C1C.
What is the InChIKey of N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine?
The InChIKey is SOUJVXQKWBBNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-9-11(13-2)5-6-12(9)16(14)8-10-4-3-7-15-10/h9-13H,3-8H2,1-2H3.
What are the key properties of N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine?
N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine is sourced from PubChem (CID 106496237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).