N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide

C12H20N2OS — CID 95167795

IUPACN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
SMILESCC[C@H](C)N(C)CCNC(=O)c1ccsc1
InChIInChI=1S/C12H20N2OS/c1-4-10(2)14(3)7-6-13-12(15)11-5-8-16-9-11/h5,8-10H,4,6-7H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyKUUDYFFSVXPMJD-JTQLQIEISA-N
MW240.37 g/mol
LogP2.21
Rot. Bonds6

About N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide

N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide (PubChem CID 95167795) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
PubChem CID95167795
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
SMILESCC[C@H](C)N(C)CCNC(=O)c1ccsc1
InChIInChI=1S/C12H20N2OS/c1-4-10(2)14(3)7-6-13-12(15)11-5-8-16-9-11/h5,8-10H,4,6-7H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyKUUDYFFSVXPMJD-JTQLQIEISA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134006121
N-[2-(diethylamino)ethyl]thiophene-3-carboxamide
CID 47007987
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide
CID 103814251
N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide
CID 95167816
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 114134948
N-[2-(propylamino)ethyl]thiophene-3-carboxamide
CID 62658821
N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine
CID 115716392
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 114133340

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide (CID 95167795) is N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide is CC[C@H](C)N(C)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide?
The InChIKey is KUUDYFFSVXPMJD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-10(2)14(3)7-6-13-12(15)11-5-8-16-9-11/h5,8-10H,4,6-7H2,1-3H3,(H,13,15)/t10-/m0/s1.
What are the key properties of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide?
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 95167795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).