[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol

C12H25NOS — CID 81418639

IUPAC[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
SMILESCSCCCNCC1(CO)CCCCC1
InChIInChI=1S/C12H25NOS/c1-15-9-5-8-13-10-12(11-14)6-3-2-4-7-12/h13-14H,2-11H2,1H3
InChIKeyQDWATCVKGISOMV-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.27
Rot. Bonds7

About [1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol

[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol (PubChem CID 81418639) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is [1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
PubChem CID81418639
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
SMILESCSCCCNCC1(CO)CCCCC1
InChIInChI=1S/C12H25NOS/c1-15-9-5-8-13-10-12(11-14)6-3-2-4-7-12/h13-14H,2-11H2,1H3
InChIKeyQDWATCVKGISOMV-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
CID 81419638
[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
CID 103966488
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075
N,N-dimethyl-1-[(3-methylsulfanylpropylamino)methyl]cyclohexan-1-amine
CID 28622139
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylbutanamide
CID 113359635
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
CID 115359670
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
2-[1-[(3-methylsulfanylpropylcarbamoylamino)methyl]cyclohexyl]acetic acid
CID 63959204
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanenitrile
CID 103966347
[1-[(but-3-enylamino)methyl]cyclohexyl]methanol
CID 103966311
[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
CID 81419373

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol (CID 81418639) is [1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol is CSCCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol?
The InChIKey is QDWATCVKGISOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-15-9-5-8-13-10-12(11-14)6-3-2-4-7-12/h13-14H,2-11H2,1H3.
What are the key properties of [1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol?
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol has a molecular weight of 231.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81418639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).