1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol

C14H27NOS — CID 107271986

IUPAC1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol
SMILESCC1(C)CCN(CC2(O)CCCCC2)CCS1
InChIInChI=1S/C14H27NOS/c1-13(2)8-9-15(10-11-17-13)12-14(16)6-4-3-5-7-14/h16H,3-12H2,1-2H3
InChIKeyHKRJRPKKIIQTHL-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.90
Rot. Bonds2

About 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol

1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol (PubChem CID 107271986) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol
PubChem CID107271986
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol
SMILESCC1(C)CCN(CC2(O)CCCCC2)CCS1
InChIInChI=1S/C14H27NOS/c1-13(2)8-9-15(10-11-17-13)12-14(16)6-4-3-5-7-14/h16H,3-12H2,1-2H3
InChIKeyHKRJRPKKIIQTHL-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 107459312
[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine
CID 107456185
1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 113362979
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
N-[[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexyl]methyl]ethanamine
CID 107459430
4-[[1-(bromomethyl)cyclopropyl]methyl]-7,7-dimethyl-1,4-thiazepane
CID 107458344
4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]oxan-4-amine
CID 107456216
7,7-dimethyl-4-[(3-methylpiperidin-3-yl)methyl]-1,4-thiazepane
CID 107456174
1-[(4-ethylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 60723383
1-[(3,3-dimethylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 115825265
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 107456168
7,7-dimethyl-4-[(3-propylpiperidin-3-yl)methyl]-1,4-thiazepane
CID 107456138

Frequently Asked Questions

What is the IUPAC name of 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol (CID 107271986) is 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol is CC1(C)CCN(CC2(O)CCCCC2)CCS1.
What is the InChIKey of 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol?
The InChIKey is HKRJRPKKIIQTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-13(2)8-9-15(10-11-17-13)12-14(16)6-4-3-5-7-14/h16H,3-12H2,1-2H3.
What are the key properties of 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol?
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol has a molecular weight of 257.44 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 107271986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).