1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol

C11H23NOS — CID 107271919

IUPAC1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCSC(C)(C)CC1
InChIInChI=1S/C11H23NOS/c1-10(2,13)9-12-6-5-11(3,4)14-8-7-12/h13H,5-9H2,1-4H3
InChIKeyFGSKBPLADJCUSD-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.97
Rot. Bonds2

About 1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol

1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol (PubChem CID 107271919) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol
PubChem CID107271919
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCSC(C)(C)CC1
InChIInChI=1S/C11H23NOS/c1-10(2,13)9-12-6-5-11(3,4)14-8-7-12/h13H,5-9H2,1-4H3
InChIKeyFGSKBPLADJCUSD-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-(1,4-thiazepan-4-yl)propan-2-ol
CID 61419787
1-(2-Ethylthiomorpholin-4-yl)-2-methylpropan-2-ol
CID 71988549
2-Methyl-4-(1,4-thiazepan-4-yl)butan-2-ol
CID 79360816
3-(Diethylaminomethyl)thiolan-3-ol
CID 84732966
2-methyl-1-[(2R)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol
CID 95783624
2-methyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-2-ol
CID 95783625
1-(1,1-Dioxo-1,4-thiazepan-4-yl)-2-methylbutan-2-ol
CID 105352566
1-(Diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246319
1-(Azepan-1-yl)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246359
1-(Dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246381
1-(7,7-Dimethyl-1,4-thiazepan-4-yl)-2-methylbutan-2-ol
CID 107271898
3-[(7,7-Dimethyl-1,4-thiazepan-4-yl)methyl]pentan-3-ol
CID 107271920

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol (CID 107271919) is 1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol is CC(C)(O)CN1CCSC(C)(C)CC1.
What is the InChIKey of 1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol?
The InChIKey is FGSKBPLADJCUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-10(2,13)9-12-6-5-11(3,4)14-8-7-12/h13H,5-9H2,1-4H3.
What are the key properties of 1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol?
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-2-ol has a molecular weight of 217.38 g/mol, XLogP of 1.97, 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)-2-methylpropan-2-ol is sourced from PubChem (CID 107271919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).