2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol

C9H17NO3S — CID 131160518

IUPAC2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol
SMILESO=S1(=O)CC(NC2CCCCC2O)C1
InChIInChI=1S/C9H17NO3S/c11-9-4-2-1-3-8(9)10-7-5-14(12,13)6-7/h7-11H,1-6H2
InChIKeyBWOKLIRKCFUYIT-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.32
Rot. Bonds2

About 2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol

2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol (PubChem CID 131160518) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol
PubChem CID131160518
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol
SMILESO=S1(=O)CC(NC2CCCCC2O)C1
InChIInChI=1S/C9H17NO3S/c11-9-4-2-1-3-8(9)10-7-5-14(12,13)6-7/h7-11H,1-6H2
InChIKeyBWOKLIRKCFUYIT-UHFFFAOYSA-N
XLogP-0.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol
CID 130610256
(3S,4R)-4-(cycloheptylamino)-1,1-dioxothiolan-3-ol
CID 51889318
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol
CID 102731668
2-[(1-methylpyrrolidin-3-yl)amino]cyclohexan-1-ol
CID 61462250
(3R,4S)-4-[[(1R,2R)-2-methylcyclohexyl]amino]-1,1-dioxothiolan-3-ol
CID 11889636
trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol
CID 102734094
trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
CID 124677465

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol (CID 131160518) is 2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol is O=S1(=O)CC(NC2CCCCC2O)C1.
What is the InChIKey of 2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol?
The InChIKey is BWOKLIRKCFUYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-9-4-2-1-3-8(9)10-7-5-14(12,13)6-7/h7-11H,1-6H2.
What are the key properties of 2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol?
2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol has a molecular weight of 219.31 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 131160518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).