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

C12H23NO3S — CID 54937546

IUPAC1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NCC2(O)CCCCC2)CC1
InChIInChI=1S/C12H23NO3S/c14-12(6-2-1-3-7-12)10-13-11-4-8-17(15,16)9-5-11/h11,13-14H,1-10H2
InChIKeyCXEGGOWBKKTAPY-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.85
Rot. Bonds3

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

1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 54937546) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID54937546
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NCC2(O)CCCCC2)CC1
InChIInChI=1S/C12H23NO3S/c14-12(6-2-1-3-7-12)10-13-11-4-8-17(15,16)9-5-11/h11,13-14H,1-10H2
InChIKeyCXEGGOWBKKTAPY-UHFFFAOYSA-N
XLogP0.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 103625161
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclohexan-1-ol
CID 114817713
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 103881245
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol
CID 114817712
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol
CID 60970973
1-[(1,1-dioxothian-4-yl)methyl]cyclohexan-1-ol
CID 115073768
1-[(oxetan-3-ylamino)methyl]cyclohexan-1-ol
CID 65108688

Frequently Asked Questions

What is the IUPAC name of 1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol (CID 54937546) is 1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol is O=S1(=O)CCC(NCC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is CXEGGOWBKKTAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c14-12(6-2-1-3-7-12)10-13-11-4-8-17(15,16)9-5-11/h11,13-14H,1-10H2.
What are the key properties of 1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol?
1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 54937546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).