N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C14H22N2OS — CID 114097042

IUPACN-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCC(C)(CNC(=O)C1C2C3CCC(C3)C12)C(N)=S
InChIInChI=1S/C14H22N2OS/c1-14(2,13(15)18)6-16-12(17)11-9-7-3-4-8(5-7)10(9)11/h7-11H,3-6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyJHFNLEZSEWYXOF-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.71
Rot. Bonds4

About N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 114097042) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID114097042
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCC(C)(CNC(=O)C1C2C3CCC(C3)C12)C(N)=S
InChIInChI=1S/C14H22N2OS/c1-14(2,13(15)18)6-16-12(17)11-9-7-3-4-8(5-7)10(9)11/h7-11H,3-6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyJHFNLEZSEWYXOF-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 59414645
N-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 3063899
N-(3-amino-2,2-difluoropropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 113626749
N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 169221439
3-[[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]propyl-trimethylazanium
CID 1675112
3-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]-N,N,N-trimethyl-1-propanaminium
CID 4212013
N-[3-(dimethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 5060833
3-[[(1R,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]propyl-trimethylazanium
CID 6565756
3-[[(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]propyl-trimethylazanium
CID 18313537
3-[[(1S,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]propyl-trimethylazanium
CID 23306656
N-(3-aminopropyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 24708789
N-(3-amino-3-sulfanylidenepropyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylacetamide
CID 43186282

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 114097042) is N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is CC(C)(CNC(=O)C1C2C3CCC(C3)C12)C(N)=S.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is JHFNLEZSEWYXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,13(15)18)6-16-12(17)11-9-7-3-4-8(5-7)10(9)11/h7-11H,3-6H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 114097042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).