4-(3-methylsulfanylpropylamino)cyclohexan-1-ol

C10H21NOS — CID 28615263

IUPAC4-(3-methylsulfanylpropylamino)cyclohexan-1-ol
SMILESCSCCCNC1CCC(O)CC1
InChIInChI=1S/C10H21NOS/c1-13-8-2-7-11-9-3-5-10(12)6-4-9/h9-12H,2-8H2,1H3
InChIKeyORVKNOVUKQAFEI-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds5

About 4-(3-methylsulfanylpropylamino)cyclohexan-1-ol

4-(3-methylsulfanylpropylamino)cyclohexan-1-ol (PubChem CID 28615263) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 4-(3-methylsulfanylpropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-methylsulfanylpropylamino)cyclohexan-1-ol
PubChem CID28615263
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name4-(3-methylsulfanylpropylamino)cyclohexan-1-ol
SMILESCSCCCNC1CCC(O)CC1
InChIInChI=1S/C10H21NOS/c1-13-8-2-7-11-9-3-5-10(12)6-4-9/h9-12H,2-8H2,1H3
InChIKeyORVKNOVUKQAFEI-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.63
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

N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102733502
3-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 103087761
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 104530252
N-(3-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 28717328
4-(3-butoxypropylamino)cyclohexan-1-ol
CID 106595163
1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
CID 115639158
N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112665474
8-methyl-N-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63981872
trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731704

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfanylpropylamino)cyclohexan-1-ol?
The IUPAC name of 4-(3-methylsulfanylpropylamino)cyclohexan-1-ol (CID 28615263) is 4-(3-methylsulfanylpropylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-methylsulfanylpropylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(3-methylsulfanylpropylamino)cyclohexan-1-ol is CSCCCNC1CCC(O)CC1.
What is the InChIKey of 4-(3-methylsulfanylpropylamino)cyclohexan-1-ol?
The InChIKey is ORVKNOVUKQAFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-13-8-2-7-11-9-3-5-10(12)6-4-9/h9-12H,2-8H2,1H3.
What are the key properties of 4-(3-methylsulfanylpropylamino)cyclohexan-1-ol?
4-(3-methylsulfanylpropylamino)cyclohexan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanylpropylamino)cyclohexan-1-ol is sourced from PubChem (CID 28615263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).