N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide

C12H18N2OS2 — CID 63223103

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)C(C)CC(N)=S)s1
InChIInChI=1S/C12H18N2OS2/c1-4-9-5-6-10(17-9)12(15)14(3)8(2)7-11(13)16/h5-6,8H,4,7H2,1-3H3,(H2,13,16)
InChIKeyMDRLXEGGNVSTNO-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.45
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide (PubChem CID 63223103) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
PubChem CID63223103
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)C(C)CC(N)=S)s1
InChIInChI=1S/C12H18N2OS2/c1-4-9-5-6-10(17-9)12(15)14(3)8(2)7-11(13)16/h5-6,8H,4,7H2,1-3H3,(H2,13,16)
InChIKeyMDRLXEGGNVSTNO-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 104555878
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 76928227
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-1-benzothiophene-2-carboxamide
CID 63223058
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluoro-N-methylbenzamide
CID 63223093
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 81121733
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 63223051
N-(4-amino-4-sulfanylidenebutan-2-yl)-N,2-dimethylbenzamide
CID 55174721
N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 119584872
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 63223055
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
3-[(5-chlorothiophene-2-carbonyl)-methylamino]butanoic acid
CID 110836897
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 63223316

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide (CID 63223103) is N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide is CCc1ccc(C(=O)N(C)C(C)CC(N)=S)s1.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
The InChIKey is MDRLXEGGNVSTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-4-9-5-6-10(17-9)12(15)14(3)8(2)7-11(13)16/h5-6,8H,4,7H2,1-3H3,(H2,13,16).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 63223103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).