N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide

C11H15N3OS — CID 106752988

IUPACN-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccnc(C)c1)C(N)=S
InChIInChI=1S/C11H15N3OS/c1-3-9(10(12)16)14-11(15)8-4-5-13-7(2)6-8/h4-6,9H,3H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyRJAMUYDBCRSJNF-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.18
Rot. Bonds4

About N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide

N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide (PubChem CID 106752988) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide
PubChem CID106752988
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccnc(C)c1)C(N)=S
InChIInChI=1S/C11H15N3OS/c1-3-9(10(12)16)14-11(15)8-4-5-13-7(2)6-8/h4-6,9H,3H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyRJAMUYDBCRSJNF-UHFFFAOYSA-N
XLogP1.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.18
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-(1-amino-1-sulfanylidenebutan-2-yl)quinoxaline-6-carboxamide
CID 55126981
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107675964
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753467
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-bromo-3-methylbenzamide
CID 113396718
methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
CID 106753807
N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753662
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
N-(1-amino-1-sulfanylidenebutan-2-yl)-3,4,5-trimethoxybenzamide
CID 61119501
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282
N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide (CID 106752988) is N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide is CCC(NC(=O)c1ccnc(C)c1)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide?
The InChIKey is RJAMUYDBCRSJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-9(10(12)16)14-11(15)8-4-5-13-7(2)6-8/h4-6,9H,3H2,1-2H3,(H2,12,16)(H,14,15).
What are the key properties of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide?
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide has a molecular weight of 237.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106752988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).