N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide

C18H26N2OS — CID 142431047

IUPACN-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide
SMILESCN(C)/C=C(\S)c1cccc(N(C)C(=O)C2CCCCC2)c1
InChIInChI=1S/C18H26N2OS/c1-19(2)13-17(22)15-10-7-11-16(12-15)20(3)18(21)14-8-5-4-6-9-14/h7,10-14,22H,4-6,8-9H2,1-3H3/b17-13-
InChIKeyMUUCSPRRYSQRFQ-LGMDPLHJSA-N
MW318.49 g/mol
LogP4.02
Rot. Bonds4

About N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide

N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide (PubChem CID 142431047) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide
PubChem CID142431047
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC NameN-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide
SMILESCN(C)/C=C(\S)c1cccc(N(C)C(=O)C2CCCCC2)c1
InChIInChI=1S/C18H26N2OS/c1-19(2)13-17(22)15-10-7-11-16(12-15)20(3)18(21)14-8-5-4-6-9-14/h7,10-14,22H,4-6,8-9H2,1-3H3/b17-13-
InChIKeyMUUCSPRRYSQRFQ-LGMDPLHJSA-N
XLogP4.02
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide (CID 142431047) is N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide is CN(C)/C=C(\S)c1cccc(N(C)C(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide?
The InChIKey is MUUCSPRRYSQRFQ-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-19(2)13-17(22)15-10-7-11-16(12-15)20(3)18(21)14-8-5-4-6-9-14/h7,10-14,22H,4-6,8-9H2,1-3H3/b17-13-.
What are the key properties of N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide?
N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide has a molecular weight of 318.49 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 142431047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).