4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine

C14H29NO2S — CID 64658420

IUPAC4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine
SMILESCOCCCS(=O)C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C14H29NO2S/c1-14(2,3)11-6-7-12(15)13(10-11)18(16)9-5-8-17-4/h11-13H,5-10,15H2,1-4H3
InChIKeyCGYWYKSRNCODNO-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.31
Rot. Bonds5

About 4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine

4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine (PubChem CID 64658420) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine
PubChem CID64658420
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine
SMILESCOCCCS(=O)C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C14H29NO2S/c1-14(2,3)11-6-7-12(15)13(10-11)18(16)9-5-8-17-4/h11-13H,5-10,15H2,1-4H3
InChIKeyCGYWYKSRNCODNO-UHFFFAOYSA-N
XLogP2.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-butylsulfinylcyclohexan-1-amine
CID 64653726
4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine
CID 104648365
4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine
CID 54936675
4-tert-butyl-2-tert-butylsulfinylcyclohexan-1-amine
CID 64652765
(4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine
CID 107766846
4-tert-butyl-2-(2-methoxyethylsulfinyl)cyclohexane-1-carbonitrile
CID 64691350
4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64657822
4-tert-butyl-2-(4-methoxyphenyl)sulfinylcyclohexan-1-amine
CID 64657571
6-(3-methoxypropylsulfinyl)-N,2,2-trimethylcyclohexan-1-amine
CID 79847582
2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile
CID 64692282
2-pentylsulfinyl-4-propylcyclohexan-1-amine
CID 107758994
1-bromo-4-tert-butyl-2-[2-(3-methoxypropoxy)ethyl]cyclohexane
CID 103182513

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine (CID 64658420) is 4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine is COCCCS(=O)C1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine?
The InChIKey is CGYWYKSRNCODNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-14(2,3)11-6-7-12(15)13(10-11)18(16)9-5-8-17-4/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine?
4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-methoxypropylsulfinyl)cyclohexan-1-amine is sourced from PubChem (CID 64658420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).