4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol

C13H25NOS — CID 127681814

IUPAC4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol
SMILESCC1CCC(O)(CN2CCCSCC2)CC1
InChIInChI=1S/C13H25NOS/c1-12-3-5-13(15,6-4-12)11-14-7-2-9-16-10-8-14/h12,15H,2-11H2,1H3
InChIKeyIAPSNUCKIBSXTK-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.37
Rot. Bonds2

About 4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol

4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol (PubChem CID 127681814) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol
PubChem CID127681814
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol
SMILESCC1CCC(O)(CN2CCCSCC2)CC1
InChIInChI=1S/C13H25NOS/c1-12-3-5-13(15,6-4-12)11-14-7-2-9-16-10-8-14/h12,15H,2-11H2,1H3
InChIKeyIAPSNUCKIBSXTK-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-hydroxy-4-(1,4-thiazepan-4-ylmethyl)cyclohexane-1-carboxylate
CID 106498524
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 111462447
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol
CID 75434952
1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol
CID 97216802
1-[(3-tert-butylazetidin-1-yl)methyl]-4-methylcyclohexan-1-ol
CID 113425809
3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 104549990
ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol
CID 177319493
[1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol
CID 62266890
2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 71999745
1-[[4-(dimethylamino)piperidin-1-yl]methyl]cyclobutan-1-ol
CID 126856786
4-methyl-1-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
CID 113425808

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol (CID 127681814) is 4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol is CC1CCC(O)(CN2CCCSCC2)CC1.
What is the InChIKey of 4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is IAPSNUCKIBSXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-12-3-5-13(15,6-4-12)11-14-7-2-9-16-10-8-14/h12,15H,2-11H2,1H3.
What are the key properties of 4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol?
4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 243.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 127681814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).