N-(thian-4-yl)adamantane-1-carboxamide

C16H25NOS — CID 128958806

IUPACN-(thian-4-yl)adamantane-1-carboxamide
SMILESO=C(NC1CCSCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NOS/c18-15(17-14-1-3-19-4-2-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,1-10H2,(H,17,18)
InChIKeyZKLLUFBOSRRSNP-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.21
Rot. Bonds2

About N-(thian-4-yl)adamantane-1-carboxamide

N-(thian-4-yl)adamantane-1-carboxamide (PubChem CID 128958806) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-(thian-4-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(thian-4-yl)adamantane-1-carboxamide
PubChem CID128958806
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-(thian-4-yl)adamantane-1-carboxamide
SMILESO=C(NC1CCSCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NOS/c18-15(17-14-1-3-19-4-2-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,1-10H2,(H,17,18)
InChIKeyZKLLUFBOSRRSNP-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-dioxothiolan-3-yl)adamantane-1-carboxamide
CID 2729769
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(2-mercaptoethyl)-
CID 64520
1-Adamantyl(thiomorpholin-4-yl)methanone
CID 2805236
N-cyclohexyladamantane-1-carboxamide
CID 3452412
2-(1-adamantyl)-N-cyclohexylacetamide
CID 2829888
3-acetamido-N-(thian-4-yl)adamantane-1-carboxamide
CID 51103785
3,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]adamantane-1-carboxamide
CID 112829727
2-(1-adamantyl)-N-[1-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)piperidin-4-yl]acetamide
CID 131890014
N-2-adamantyl-4-[2-(ethylsulfonyl)ethyl]bicyclo[2.2.2]octane-1-carboxamide
CID 11502385
N-2-adamantyl-4-[3-(ethylsulfonyl)propyl]bicyclo[2.2.2]octane-1-carboxamide
CID 11604197
[2-(1-Adamantyl)-2-oxoethyl]-methyl-[3-(octylamino)-3-oxopropyl]sulfanium
CID 58841730
N-[1-(3-bicyclo[3.3.1]nonanyl)ethyl]-4-(2-ethylsulfonylethyl)bicyclo[2.2.2]octane-1-carboxamide
CID 70879587

Frequently Asked Questions

What is the IUPAC name of N-(thian-4-yl)adamantane-1-carboxamide?
The IUPAC name of N-(thian-4-yl)adamantane-1-carboxamide (CID 128958806) is N-(thian-4-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(thian-4-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(thian-4-yl)adamantane-1-carboxamide is O=C(NC1CCSCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(thian-4-yl)adamantane-1-carboxamide?
The InChIKey is ZKLLUFBOSRRSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c18-15(17-14-1-3-19-4-2-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,1-10H2,(H,17,18).
What are the key properties of N-(thian-4-yl)adamantane-1-carboxamide?
N-(thian-4-yl)adamantane-1-carboxamide has a molecular weight of 279.45 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-yl)adamantane-1-carboxamide is sourced from PubChem (CID 128958806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).