1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol

C9H16O3S — CID 84778007

IUPAC1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol
SMILESO=S1(=O)CCC(CC2(O)CC2)CC1
InChIInChI=1S/C9H16O3S/c10-9(3-4-9)7-8-1-5-13(11,12)6-2-8/h8,10H,1-7H2
InChIKeyVVVLCMSBWGCKHH-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.73
Rot. Bonds2

About 1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol

1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol (PubChem CID 84778007) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol
PubChem CID84778007
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol
SMILESO=S1(=O)CCC(CC2(O)CC2)CC1
InChIInChI=1S/C9H16O3S/c10-9(3-4-9)7-8-1-5-13(11,12)6-2-8/h8,10H,1-7H2
InChIKeyVVVLCMSBWGCKHH-UHFFFAOYSA-N
XLogP0.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1,1-dioxothian-4-yl)methyl]cyclohexan-1-ol
CID 115073768
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-ol
CID 115073699
8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol
CID 114819637
N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine
CID 105460988
1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 54937546
1-(thietan-3-ylmethyl)cyclopropan-1-ol
CID 84648985
2-(1,1-dioxothian-4-yl)-1-(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)ethanone
CID 156607337
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine
CID 115074188
1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol
CID 163639046
4-(2-chloroethyl)thiane 1,1-dioxide
CID 165442891
2-(1,1-dioxothian-4-yl)-1-pyrrolidin-1-ylethanone
CID 110848611
2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride
CID 56828087

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol (CID 84778007) is 1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol is O=S1(=O)CCC(CC2(O)CC2)CC1.
What is the InChIKey of 1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol?
The InChIKey is VVVLCMSBWGCKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c10-9(3-4-9)7-8-1-5-13(11,12)6-2-8/h8,10H,1-7H2.
What are the key properties of 1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol?
1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol has a molecular weight of 204.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothian-4-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 84778007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).