[1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol

C15H29NOS — CID 113359583

IUPAC[1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol
SMILESCC1(C)CCSCC1NCC1(CO)CCCCC1
InChIInChI=1S/C15H29NOS/c1-14(2)8-9-18-10-13(14)16-11-15(12-17)6-4-3-5-7-15/h13,16-17H,3-12H2,1-2H3
InChIKeyZFRROLXVPAMLNN-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.05
Rot. Bonds4

About [1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol

[1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 113359583) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is [1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol
PubChem CID113359583
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name[1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol
SMILESCC1(C)CCSCC1NCC1(CO)CCCCC1
InChIInChI=1S/C15H29NOS/c1-14(2)8-9-18-10-13(14)16-11-15(12-17)6-4-3-5-7-15/h13,16-17H,3-12H2,1-2H3
InChIKeyZFRROLXVPAMLNN-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine
CID 79948969
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethylthian-3-amine
CID 83107348
[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol
CID 103966001
[4-[[(4,4-dimethylthian-3-yl)amino]methyl]phenyl]methanol
CID 107229911
3-[(4,4-dimethylthian-3-yl)amino]-2-methylpropane-1,2-diol
CID 79948294
3-[[(4,4-dimethylthian-3-yl)amino]methyl]oxolan-3-ol
CID 106099929
3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide
CID 106170755
[1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol
CID 81412425
N-but-3-ynyl-4,4-dimethylthian-3-amine
CID 79948373
3-[[(4,4-dimethylthian-3-yl)amino]methyl]hexan-1-ol
CID 106114383
[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81435372
N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide
CID 113359665

Frequently Asked Questions

What is the IUPAC name of [1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol (CID 113359583) is [1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol is CC1(C)CCSCC1NCC1(CO)CCCCC1.
What is the InChIKey of [1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is ZFRROLXVPAMLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-14(2)8-9-18-10-13(14)16-11-15(12-17)6-4-3-5-7-15/h13,16-17H,3-12H2,1-2H3.
What are the key properties of [1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 271.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 113359583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).