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

C11H21NO3S — CID 43511522

IUPAC4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NC2CCC(O)CC2)CC1
InChIInChI=1S/C11H21NO3S/c13-11-3-1-9(2-4-11)12-10-5-7-16(14,15)8-6-10/h9-13H,1-8H2
InChIKeyACUILIBAKIGADT-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.46
Rot. Bonds2

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

4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol (PubChem CID 43511522) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol
PubChem CID43511522
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NC2CCC(O)CC2)CC1
InChIInChI=1S/C11H21NO3S/c13-11-3-1-9(2-4-11)12-10-5-7-16(14,15)8-6-10/h9-13H,1-8H2
InChIKeyACUILIBAKIGADT-UHFFFAOYSA-N
XLogP0.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,1-Dioxothiolan-3-yl)amino]cyclohexan-1-ol
CID 16785097
4-[(1,1-Dioxo-2,5-dipentylthiolan-3-yl)amino]cyclohexan-1-ol
CID 20312610
6-[(Tetrahydro-1,1-dioxido-3-thienyl)amino]-1-hexanol
CID 20312641
4-(2-Propan-2-ylsulfonylethylamino)cyclohexan-1-ol
CID 57992763
4-(2-Methylsulfonylethylamino)cyclohexan-1-ol
CID 70946592
4-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 104549120
4-(Thiolan-2-ylmethylamino)cyclohexan-1-ol
CID 106594834
N-(4-hydroxycyclohexyl)piperidine-3-sulfonamide
CID 24695197
4-[(Thiolan-3-yl)amino]cyclohexan-1-ol
CID 43178541
4-(Thian-4-ylamino)cyclohexan-1-ol
CID 43394845
3-[(1,1-Dioxothian-4-yl)amino]cyclohexan-1-ol
CID 43751417
2-[(1,1-Dioxothian-4-yl)amino]cycloheptan-1-ol
CID 54937589

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol (CID 43511522) is 4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol is O=S1(=O)CCC(NC2CCC(O)CC2)CC1.
What is the InChIKey of 4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol?
The InChIKey is ACUILIBAKIGADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-11-3-1-9(2-4-11)12-10-5-7-16(14,15)8-6-10/h9-13H,1-8H2.
What are the key properties of 4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol?
4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 43511522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).