N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide

C14H24N2OS2 — CID 107020632

IUPACN-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(S)cs1
InChIInChI=1S/C14H24N2OS2/c1-4-16(5-2)8-6-7-11(3)15-14(17)13-9-12(18)10-19-13/h9-11,18H,4-8H2,1-3H3,(H,15,17)
InChIKeySMCHEIQRNAOCOZ-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.28
Rot. Bonds8

About N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide

N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107020632) has the molecular formula C14H24N2OS2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107020632
Molecular FormulaC14H24N2OS2
Molecular Weight300.49 g/mol
Exact Mass300.13
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(S)cs1
InChIInChI=1S/C14H24N2OS2/c1-4-16(5-2)8-6-7-11(3)15-14(17)13-9-12(18)10-19-13/h9-11,18H,4-8H2,1-3H3,(H,15,17)
InChIKeySMCHEIQRNAOCOZ-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.28
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-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107035311
N-(4-phenylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107026936
N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide
CID 107025092
2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66373417
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107025304
N-[5-(diethylamino)pentan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 63865105
N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide
CID 107022373
N-[5-(diethylamino)pentan-2-yl]-4-hydrazinylpyridine-2-carboxamide
CID 62236182
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022853
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide (CID 107020632) is N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide is CCN(CC)CCCC(C)NC(=O)c1cc(S)cs1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is SMCHEIQRNAOCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS2/c1-4-16(5-2)8-6-7-11(3)15-14(17)13-9-12(18)10-19-13/h9-11,18H,4-8H2,1-3H3,(H,15,17).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 300.49 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107020632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).