N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine

C11H21NO3S — CID 43757116

IUPACN-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine
SMILESCOC1CCCCC1NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-15-11-5-3-2-4-10(11)12-9-6-7-16(13,14)8-9/h9-12H,2-8H2,1H3
InChIKeyXOCMFDKRMYWABJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.72
Rot. Bonds3

About N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine

N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine (PubChem CID 43757116) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine
PubChem CID43757116
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine
SMILESCOC1CCCCC1NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-15-11-5-3-2-4-10(11)12-9-6-7-16(13,14)8-9/h9-12H,2-8H2,1H3
InChIKeyXOCMFDKRMYWABJ-UHFFFAOYSA-N
XLogP0.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
N-(2-methoxycyclopentyl)cyclododecanamine
CID 63477774
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine
CID 115707658
[2-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol
CID 104866380
2-[(1,1-dioxothiolan-3-yl)amino]cycloheptane-1-carbonitrile
CID 62743497
N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 63993922
1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine
CID 79545123
N-(3,3-dimethylcyclopentyl)-2-methoxycyclohexan-1-amine
CID 104531259
4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol
CID 60896483
cyclopropyl-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]methanone
CID 43791479
methyl N-(1,1-dioxothiolan-3-yl)carbamate
CID 2999519

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine (CID 43757116) is N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine is COC1CCCCC1NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine?
The InChIKey is XOCMFDKRMYWABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-15-11-5-3-2-4-10(11)12-9-6-7-16(13,14)8-9/h9-12H,2-8H2,1H3.
What are the key properties of N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine?
N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine has a molecular weight of 247.36 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43757116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).