N-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine

C12H23NO3S — CID 43778678

IUPACN-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine
SMILESCOC1CCCCC1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H23NO3S/c1-16-12-5-3-2-4-11(12)13-10-6-8-17(14,15)9-7-10/h10-13H,2-9H2,1H3
InChIKeyOYHYUGQDABKJQU-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.11
Rot. Bonds3

About N-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine

N-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine (PubChem CID 43778678) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine
PubChem CID43778678
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine
SMILESCOC1CCCCC1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H23NO3S/c1-16-12-5-3-2-4-11(12)13-10-6-8-17(14,15)9-7-10/h10-13H,2-9H2,1H3
InChIKeyOYHYUGQDABKJQU-UHFFFAOYSA-N
XLogP1.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine (CID 43778678) is N-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine is COC1CCCCC1NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine?
The InChIKey is OYHYUGQDABKJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-16-12-5-3-2-4-11(12)13-10-6-8-17(14,15)9-7-10/h10-13H,2-9H2,1H3.
What are the key properties of N-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine?
N-(2-methoxycyclohexyl)-1,1-dioxothian-4-amine has a molecular weight of 261.39 g/mol, XLogP of 1.11, 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-dioxothian-4-amine is sourced from PubChem (CID 43778678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).