N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide

C18H29NOS — CID 171577258

IUPACN-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide
SMILESCSC1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H29NOS/c1-21-16-4-2-15(3-5-16)19-17(20)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-16H,2-11H2,1H3,(H,19,20)
InChIKeyKDMLVLHBSQSZSY-UHFFFAOYSA-N
MW307.50 g/mol
LogP3.99
Rot. Bonds3

About N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide

N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide (PubChem CID 171577258) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide
PubChem CID171577258
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC NameN-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide
SMILESCSC1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H29NOS/c1-21-16-4-2-15(3-5-16)19-17(20)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-16H,2-11H2,1H3,(H,19,20)
InChIKeyKDMLVLHBSQSZSY-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(2-mercaptoethyl)-
CID 64520
2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide
CID 5116643
N-cyclohexyladamantane-1-carboxamide
CID 3452412
2-(1-adamantyl)-N-cyclohexylacetamide
CID 2829888
N-[1-(1-adamantyl)ethyl]cyclohexanecarboxamide
CID 2929386
3-acetamido-N-(thian-4-yl)adamantane-1-carboxamide
CID 51103785
N-(1-(1-Adamantyl)ethyl)-1-adamantanecarboxamide
CID 4681507
N-(4-methylcyclohexyl)adamantane-1-carboxamide
CID 18106452
N-heptan-2-yladamantane-1-carboxamide
CID 4093732
3,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]adamantane-1-carboxamide
CID 112829727
N-cyclohexyl-3,5,7-trimethyladamantane-1-carboxamide
CID 4007510
N-2-adamantyl-4-[2-(ethylsulfonyl)ethyl]bicyclo[2.2.2]octane-1-carboxamide
CID 11502385

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide (CID 171577258) is N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide is CSC1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide?
The InChIKey is KDMLVLHBSQSZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-21-16-4-2-15(3-5-16)19-17(20)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-16H,2-11H2,1H3,(H,19,20).
What are the key properties of N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide?
N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide has a molecular weight of 307.50 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide is sourced from PubChem (CID 171577258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).