N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine

C14H27NO2S — CID 106496366

IUPACN,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1S(=O)CC1CCCO1
InChIInChI=1S/C14H27NO2S/c1-14(2)7-6-12(15-3)13(9-14)18(16)10-11-5-4-8-17-11/h11-13,15H,4-10H2,1-3H3
InChIKeyZSMZDOLKLNSTKP-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.08
Rot. Bonds4

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

N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine (PubChem CID 106496366) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
PubChem CID106496366
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1S(=O)CC1CCCO1
InChIInChI=1S/C14H27NO2S/c1-14(2)7-6-12(15-3)13(9-14)18(16)10-11-5-4-8-17-11/h11-13,15H,4-10H2,1-3H3
InChIKeyZSMZDOLKLNSTKP-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.08
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,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine
CID 106496237
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496336
N-ethyl-7-(oxolan-2-ylmethylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106496216
2-butylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64655762
N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496313
2-(3,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64658495
2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 106496357
4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 106496824
N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine
CID 64655460
N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine
CID 106496296
3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine
CID 104537106

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine?
The IUPAC name of N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine (CID 106496366) is N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine.
What is the SMILES notation for N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine?
The canonical SMILES for N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine is CNC1CCC(C)(C)CC1S(=O)CC1CCCO1.
What is the InChIKey of N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine?
The InChIKey is ZSMZDOLKLNSTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-14(2)7-6-12(15-3)13(9-14)18(16)10-11-5-4-8-17-11/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine?
N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine is sourced from PubChem (CID 106496366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).