N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide

C9H18NO3PS — CID 138967679

IUPACN-cyclohexyl-1-dimethoxyphosphorylmethanethioamide
SMILESCOP(=O)(OC)C(=S)NC1CCCCC1
InChIInChI=1S/C9H18NO3PS/c1-12-14(11,13-2)9(15)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,15)
InChIKeyKNWVKTIRXGWGDU-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.68
Rot. Bonds4

About N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide

N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide (PubChem CID 138967679) has the molecular formula C9H18NO3PS and a molecular weight of 251.29 g/mol. Its IUPAC name is N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide.

Molecular Properties

Compound NameN-cyclohexyl-1-dimethoxyphosphorylmethanethioamide
PubChem CID138967679
Molecular FormulaC9H18NO3PS
Molecular Weight251.29 g/mol
Exact Mass251.07
IUPAC NameN-cyclohexyl-1-dimethoxyphosphorylmethanethioamide
SMILESCOP(=O)(OC)C(=S)NC1CCCCC1
InChIInChI=1S/C9H18NO3PS/c1-12-14(11,13-2)9(15)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,15)
InChIKeyKNWVKTIRXGWGDU-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

methyl N-cyclohexadecylcarbamate
CID 131977131
N-cyclohexylethanethioamide;ethane
CID 142134846
N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide
CID 138972672
N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
CID 2975425
N-cycloheptyl-3-methoxypropanamide
CID 110839127
1-cycloheptyl-3-methoxyurea
CID 126986046
cyclooctylcarbamodithioic acid
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cycloheptylthiourea
CID 13433274
ethyl N-(cyclohexylcarbamothioylamino)carbamate
CID 2743224
2-(acetylcarbamothioylamino)-N-cyclohexylbenzamide
CID 1226733
N-cyclohexyl-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670039
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CID 135182352

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide?
The IUPAC name of N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide (CID 138967679) is N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide.
What is the SMILES notation for N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide?
The canonical SMILES for N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide is COP(=O)(OC)C(=S)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide?
The InChIKey is KNWVKTIRXGWGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO3PS/c1-12-14(11,13-2)9(15)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,10,15).
What are the key properties of N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide?
N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide has a molecular weight of 251.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-dimethoxyphosphorylmethanethioamide is sourced from PubChem (CID 138967679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).