N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide

C15H22N2OS — CID 88821469

IUPACN-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide
SMILESCOC(C(=S)NCC1CCCCC1)c1ccccn1
InChIInChI=1S/C15H22N2OS/c1-18-14(13-9-5-6-10-16-13)15(19)17-11-12-7-3-2-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,17,19)
InChIKeyNTTLOEWTJZYPII-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.27
Rot. Bonds5

About N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide

N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide (PubChem CID 88821469) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide
PubChem CID88821469
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide
SMILESCOC(C(=S)NCC1CCCCC1)c1ccccn1
InChIInChI=1S/C15H22N2OS/c1-18-14(13-9-5-6-10-16-13)15(19)17-11-12-7-3-2-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,17,19)
InChIKeyNTTLOEWTJZYPII-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
CID 21279072
N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477427
(1R)-2-cyclohexyl-1-pyridin-2-ylethanamine
CID 15808925
N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
(2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide
CID 70412443
N-cyclohexyl-2-pyridin-2-ylbutanamide
CID 21278990
1-cyclohexyl-3-pyridin-2-ylbutan-2-amine
CID 66448950
N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110241999
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide?
The IUPAC name of N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide (CID 88821469) is N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide is COC(C(=S)NCC1CCCCC1)c1ccccn1.
What is the InChIKey of N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide?
The InChIKey is NTTLOEWTJZYPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-18-14(13-9-5-6-10-16-13)15(19)17-11-12-7-3-2-4-8-12/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,17,19).
What are the key properties of N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide?
N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide has a molecular weight of 278.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide is sourced from PubChem (CID 88821469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).