2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol

C14H29NOS — CID 103699659

IUPAC2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CCC(C(C)C)CC1
InChIInChI=1S/C14H29NOS/c1-11(2)12-5-7-13(8-6-12)15-9-14(3,16)10-17-4/h11-13,15-16H,5-10H2,1-4H3
InChIKeyBIALZJPCQHSKLZ-UHFFFAOYSA-N
MW259.46 g/mol
LogP2.90
Rot. Bonds6

About 2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol

2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol (PubChem CID 103699659) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol
PubChem CID103699659
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CCC(C(C)C)CC1
InChIInChI=1S/C14H29NOS/c1-11(2)12-5-7-13(8-6-12)15-9-14(3,16)10-17-4/h11-13,15-16H,5-10H2,1-4H3
InChIKeyBIALZJPCQHSKLZ-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol with MolForge

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Related Compounds

1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103699660
2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 113261880
2-methyl-1-[(4-propan-2-ylcycloheptyl)amino]butan-2-ol
CID 65102608
2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol
CID 106245683
trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
CID 106246971
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
CID 106247252
3-(cyclopropylamino)-2-methylpropane-1,2-diol
CID 66335197
1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 113261872
2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol
CID 106245965
methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate
CID 106248351
1-[(5,5-dimethylthian-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246032
1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol (CID 103699659) is 2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol is CSCC(C)(O)CNC1CCC(C(C)C)CC1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol?
The InChIKey is BIALZJPCQHSKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-11(2)12-5-7-13(8-6-12)15-9-14(3,16)10-17-4/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol has a molecular weight of 259.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 103699659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).