N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide

C24H32N2OS — CID 162525888

IUPACN-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
SMILESCSCC1C2CC3(C(=O)NC4CCC(N)CC4)CC4(c5ccccc5)CC1C234
InChIInChI=1S/C24H32N2OS/c1-28-13-18-19-11-22(15-5-3-2-4-6-15)14-23(12-20(18)24(19,22)23)21(27)26-17-9-7-16(25)8-10-17/h2-6,16-20H,7-14,25H2,1H3,(H,26,27)
InChIKeyNNNGHWIQPLDVBP-UHFFFAOYSA-N
MW396.60 g/mol
LogP3.72
Rot. Bonds5

About N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide

N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide (PubChem CID 162525888) has the molecular formula C24H32N2OS and a molecular weight of 396.60 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
PubChem CID162525888
Molecular FormulaC24H32N2OS
Molecular Weight396.60 g/mol
Exact Mass396.22
IUPAC NameN-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
SMILESCSCC1C2CC3(C(=O)NC4CCC(N)CC4)CC4(c5ccccc5)CC1C234
InChIInChI=1S/C24H32N2OS/c1-28-13-18-19-11-22(15-5-3-2-4-6-15)14-23(12-20(18)24(19,22)23)21(27)26-17-9-7-16(25)8-10-17/h2-6,16-20H,7-14,25H2,1H3,(H,26,27)
InChIKeyNNNGHWIQPLDVBP-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide with MolForge

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Related Compounds

(7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide
CID 162754679
methyl 7-[(4-aminocyclohexyl)carbamoyl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxylate
CID 130269040
N-(4-aminocyclohexyl)-5-(methylsulfanylmethyl)-7-phenyladamantane-2-carboxamide
CID 162525387
N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide
CID 119477938
(3S,5R)-N-(4-aminocyclohexyl)-5-(2-fluoroethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
CID 137436257
N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide
CID 175633706
(3S,5R)-N-(4-aminocyclohexyl)-3-(2-fluoroethyl)-5-phenyladamantane-1-carboxamide
CID 137436155
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
cyclohexanamine;10-(2-methylpropyl)-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxamide
CID 162525712
N-(4-aminocyclohexyl)-3-phenyl-1'-phenylmethoxyspiro[adamantane-6,2'-aziridine]-1-carboxamide
CID 175626949
N-(4-aminocyclohexyl)-3-phenyl-6-(3,3,3-trifluoropropylidene)adamantane-1-carboxamide
CID 162525365

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide (CID 162525888) is N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide is CSCC1C2CC3(C(=O)NC4CCC(N)CC4)CC4(c5ccccc5)CC1C234.
What is the InChIKey of N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
The InChIKey is NNNGHWIQPLDVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2OS/c1-28-13-18-19-11-22(15-5-3-2-4-6-15)14-23(12-20(18)24(19,22)23)21(27)26-17-9-7-16(25)8-10-17/h2-6,16-20H,7-14,25H2,1H3,(H,26,27).
What are the key properties of N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide has a molecular weight of 396.60 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-6-(methylsulfanylmethyl)-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide is sourced from PubChem (CID 162525888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).