N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide

C14H15N3OS — CID 61121065

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C(N)=S)c2ccccc2n1
InChIInChI=1S/C14H15N3OS/c1-8-7-11(14(18)17-9(2)13(15)19)10-5-3-4-6-12(10)16-8/h3-7,9H,1-2H3,(H2,15,19)(H,17,18)
InChIKeyNTCVHIAUNFRKIC-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.95
Rot. Bonds3

About N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide (PubChem CID 61121065) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
PubChem CID61121065
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C(N)=S)c2ccccc2n1
InChIInChI=1S/C14H15N3OS/c1-8-7-11(14(18)17-9(2)13(15)19)10-5-3-4-6-12(10)16-8/h3-7,9H,1-2H3,(H2,15,19)(H,17,18)
InChIKeyNTCVHIAUNFRKIC-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
CID 61119261
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 94799939
2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 95279293
N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
CID 4883107
methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
CID 55101906
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-methylquinoline-4-carboxamide
CID 71913323
N-[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-methylquinoline-4-carboxamide
CID 97068002
(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid
CID 129467380

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide (CID 61121065) is N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC(C)C(N)=S)c2ccccc2n1.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is NTCVHIAUNFRKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-8-7-11(14(18)17-9(2)13(15)19)10-5-3-4-6-12(10)16-8/h3-7,9H,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 61121065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).