1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol

C11H23NO2S — CID 63987410

IUPAC1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol
SMILESCC(C)OCC(O)CN1CCCSCC1
InChIInChI=1S/C11H23NO2S/c1-10(2)14-9-11(13)8-12-4-3-6-15-7-5-12/h10-11,13H,3-9H2,1-2H3
InChIKeyFAMMNFONQKBZRM-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.21
Rot. Bonds5

About 1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol

1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol (PubChem CID 63987410) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol
PubChem CID63987410
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol
SMILESCC(C)OCC(O)CN1CCCSCC1
InChIInChI=1S/C11H23NO2S/c1-10(2)14-9-11(13)8-12-4-3-6-15-7-5-12/h10-11,13H,3-9H2,1-2H3
InChIKeyFAMMNFONQKBZRM-UHFFFAOYSA-N
XLogP1.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436
1-(propan-2-ylamino)-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 61419499
1-ethoxy-3-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 86763990
1-bromo-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 112561351
1-(8-azaspiro[4.5]decan-8-yl)-3-propan-2-yloxypropan-2-ol
CID 63987208
1-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-1,4-diazepan-1-yl]ethanone
CID 95357999
(2R)-1-phenoxy-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 97245429
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
CID 115826056
1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63950586
1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
CID 62077210
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid
CID 63989269

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol (CID 63987410) is 1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol is CC(C)OCC(O)CN1CCCSCC1.
What is the InChIKey of 1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol?
The InChIKey is FAMMNFONQKBZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2)14-9-11(13)8-12-4-3-6-15-7-5-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol?
1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol has a molecular weight of 233.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol is sourced from PubChem (CID 63987410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).