1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

C15H31NOS — CID 103699660

IUPAC1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NOS/c1-14(2,3)12-6-8-13(9-7-12)16-10-15(4,17)11-18-5/h12-13,16-17H,6-11H2,1-5H3
InChIKeyHOIHMOWWBYENKH-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.29
Rot. Bonds5

About 1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 103699660) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is 1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID103699660
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NOS/c1-14(2,3)12-6-8-13(9-7-12)16-10-15(4,17)11-18-5/h12-13,16-17H,6-11H2,1-5H3
InChIKeyHOIHMOWWBYENKH-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol 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

2-Methyl-1-methylsulfanyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 104844744
4-(2-methylbutan-2-yl)-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 43225522
2-Methyl-1-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol
CID 63239629
4-tert-butyl-N-(2-methyl-3-methylsulfanylpropyl)cyclohexan-1-amine
CID 63980605
4-tert-butyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 63982496
2-[5-Tert-butyl-2-(ethylamino)cyclohexyl]sulfanylethanol
CID 64614391
2-[2-(Ethylamino)-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylethanol
CID 64615241
2-[5-Tert-butyl-2-(propylamino)cyclohexyl]sulfanylethanol
CID 64615458
1-[(4-Tert-butylcyclohexyl)amino]-2-methylbutan-2-ol
CID 65103017
1-[(4-Tert-butylcyclohexyl)amino]-2-methylpropan-2-ol
CID 65104088
3-[[(3,4-Dimethylcyclohexyl)amino]methyl]thiolan-3-ol
CID 75508874
3-[[(2,4-Dimethylcyclohexyl)amino]methyl]thiolan-3-ol
CID 86789024

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 103699660) is 1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is HOIHMOWWBYENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-14(2,3)12-6-8-13(9-7-12)16-10-15(4,17)11-18-5/h12-13,16-17H,6-11H2,1-5H3.
What are the key properties of 1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 273.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 103699660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).