N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide

C12H20N2OS2 — CID 107025304

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1cc(S)cs1
InChIInChI=1S/C12H20N2OS2/c1-8(2)10(6-14(3)4)13-12(15)11-5-9(16)7-17-11/h5,7-8,10,16H,6H2,1-4H3,(H,13,15)
InChIKeyQZDSGYZSVRSINB-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.35
Rot. Bonds5

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107025304) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107025304
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1cc(S)cs1
InChIInChI=1S/C12H20N2OS2/c1-8(2)10(6-14(3)4)13-12(15)11-5-9(16)7-17-11/h5,7-8,10,16H,6H2,1-4H3,(H,13,15)
InChIKeyQZDSGYZSVRSINB-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107032032
N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide
CID 107025092
N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107035311
N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022853
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107023129
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide
CID 107025299
N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107020632
N-(4-phenylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107026936
5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 61479130
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide
CID 55082851
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
CID 55041620
2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 62159754

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide (CID 107025304) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide is CC(C)C(CN(C)C)NC(=O)c1cc(S)cs1.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is QZDSGYZSVRSINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-8(2)10(6-14(3)4)13-12(15)11-5-9(16)7-17-11/h5,7-8,10,16H,6H2,1-4H3,(H,13,15).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 272.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107025304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).