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

C13H25NOS — CID 107271978

IUPAC1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol
SMILESCC1(C)CCN(CC2(O)CCCC2)CCS1
InChIInChI=1S/C13H25NOS/c1-12(2)7-8-14(9-10-16-12)11-13(15)5-3-4-6-13/h15H,3-11H2,1-2H3
InChIKeyUEYJUTLJHGRRIU-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.51
Rot. Bonds2

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

1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol (PubChem CID 107271978) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol
PubChem CID107271978
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol
SMILESCC1(C)CCN(CC2(O)CCCC2)CCS1
InChIInChI=1S/C13H25NOS/c1-12(2)7-8-14(9-10-16-12)11-13(15)5-3-4-6-13/h15H,3-11H2,1-2H3
InChIKeyUEYJUTLJHGRRIU-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-Thiazepan-4-ylmethyl)cyclohexan-1-ol
CID 65208589
1-[[Methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-ol
CID 65212719
1-(1,4-Thiazepan-4-ylmethyl)cyclopentan-1-ol
CID 65212728
1-((3-Methylthiomorpholino)methyl)cyclopentan-1-ol
CID 65212845
1-[(2,6-Dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
CID 65212894
1-(Thiomorpholin-4-ylmethyl)cyclopentan-1-ol
CID 65213206
1-[2-(Diethylamino)ethylsulfanylmethyl]cyclopentan-1-ol
CID 65668578
1-[(1,1-Dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol
CID 103827241
1-[[Methyl(2-propylsulfonylethyl)amino]methyl]cyclopentan-1-ol
CID 103839083
1-[(3-Ethylsulfanylpropylamino)methyl]cyclopentan-1-ol
CID 104179549
3-[(7,7-Dimethyl-1,4-thiazepan-4-yl)methyl]pentan-3-ol
CID 107271920
1-[(7,7-Dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol
CID 107271986

Frequently Asked Questions

What is the IUPAC name of 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol (CID 107271978) is 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol is CC1(C)CCN(CC2(O)CCCC2)CCS1.
What is the InChIKey of 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol?
The InChIKey is UEYJUTLJHGRRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-12(2)7-8-14(9-10-16-12)11-13(15)5-3-4-6-13/h15H,3-11H2,1-2H3.
What are the key properties of 1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol?
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol has a molecular weight of 243.42 g/mol, XLogP of 2.51, 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]cyclopentan-1-ol is sourced from PubChem (CID 107271978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).