N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide

C18H29NOS2 — CID 3277075

IUPACN-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
SMILESO=C(NC1CCCCC1)C1CC2CCCC(C1)C21SCCS1
InChIInChI=1S/C18H29NOS2/c20-17(19-16-7-2-1-3-8-16)13-11-14-5-4-6-15(12-13)18(14)21-9-10-22-18/h13-16H,1-12H2,(H,19,20)
InChIKeyUXVPZLRFOKDWBX-UHFFFAOYSA-N
MW339.57 g/mol
LogP4.44
Rot. Bonds2

About N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide

N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide (PubChem CID 3277075) has the molecular formula C18H29NOS2 and a molecular weight of 339.57 g/mol. Its IUPAC name is N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide.

Molecular Properties

Compound NameN-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
PubChem CID3277075
Molecular FormulaC18H29NOS2
Molecular Weight339.57 g/mol
Exact Mass339.17
IUPAC NameN-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
SMILESO=C(NC1CCCCC1)C1CC2CCCC(C1)C21SCCS1
InChIInChI=1S/C18H29NOS2/c20-17(19-16-7-2-1-3-8-16)13-11-14-5-4-6-15(12-13)18(14)21-9-10-22-18/h13-16H,1-12H2,(H,19,20)
InChIKeyUXVPZLRFOKDWBX-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16616544
N-cyclohexylthiolane-3-carboxamide
CID 64590364
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclohexylthiane-3-carboxamide
CID 110848935
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
N-cyclopentylthiolane-3-carboxamide
CID 64592459

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide?
The IUPAC name of N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide (CID 3277075) is N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide.
What is the SMILES notation for N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide?
The canonical SMILES for N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide is O=C(NC1CCCCC1)C1CC2CCCC(C1)C21SCCS1.
What is the InChIKey of N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide?
The InChIKey is UXVPZLRFOKDWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS2/c20-17(19-16-7-2-1-3-8-16)13-11-14-5-4-6-15(12-13)18(14)21-9-10-22-18/h13-16H,1-12H2,(H,19,20).
What are the key properties of N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide?
N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide has a molecular weight of 339.57 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide is sourced from PubChem (CID 3277075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).