3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C14H25ClN2OS — CID 119756548

IUPAC3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NCC1CCSCC1
InChIInChI=1S/C14H24N2OS.ClH/c15-13-11-2-1-10(7-11)12(13)14(17)16-8-9-3-5-18-6-4-9;/h9-13H,1-8,15H2,(H,16,17);1H
InChIKeyGNXOGAQIQVMWAZ-UHFFFAOYSA-N
MW304.89 g/mol
LogP2.04
Rot. Bonds3

About 3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119756548) has the molecular formula C14H25ClN2OS and a molecular weight of 304.89 g/mol. Its IUPAC name is 3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119756548
Molecular FormulaC14H25ClN2OS
Molecular Weight304.89 g/mol
Exact Mass304.14
IUPAC Name3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NCC1CCSCC1
InChIInChI=1S/C14H24N2OS.ClH/c15-13-11-2-1-10(7-11)12(13)14(17)16-8-9-3-5-18-6-4-9;/h9-13H,1-8,15H2,(H,16,17);1H
InChIKeyGNXOGAQIQVMWAZ-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.89
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726704
3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103813669
3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103811724
3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119854673
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
3-amino-N-[(1,1-dioxothiolan-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81039400
3-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119860620
3-amino-N-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119790629
3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119880522
3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119692045
3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113267120
3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119862615

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119756548) is 3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)NCC1CCSCC1.
What is the InChIKey of 3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is GNXOGAQIQVMWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS.ClH/c15-13-11-2-1-10(7-11)12(13)14(17)16-8-9-3-5-18-6-4-9;/h9-13H,1-8,15H2,(H,16,17);1H.
What are the key properties of 3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 304.89 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119756548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).