N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

C12H18N2O2S — CID 2292963

IUPACN-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cccs1
InChIInChI=1S/C12H18N2O2S/c15-12(11-3-1-10-17-11)13-4-2-5-14-6-8-16-9-7-14/h1,3,10H,2,4-9H2,(H,13,15)
InChIKeyHFIHWWHPGCTAEM-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.20
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (PubChem CID 2292963) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
PubChem CID2292963
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cccs1
InChIInChI=1S/C12H18N2O2S/c15-12(11-3-1-10-17-11)13-4-2-5-14-6-8-16-9-7-14/h1,3,10H,2,4-9H2,(H,13,15)
InChIKeyHFIHWWHPGCTAEM-UHFFFAOYSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
tert-butyl 4-{[(2-thienylcarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810469
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
Thiophene-2-carboxylic acid, morpholide
CID 531921
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
[5-(Morpholine-4-carbonyl)-thiophen-2-yl]-morpholin-4-yl-methanone
CID 723574
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
N-(3-methoxypropyl)thiophene-2-carboxamide
CID 2057652
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
CID 11587883

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (CID 2292963) is N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is O=C(NCCCN1CCOCC1)c1cccs1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The InChIKey is HFIHWWHPGCTAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-12(11-3-1-10-17-11)13-4-2-5-14-6-8-16-9-7-14/h1,3,10H,2,4-9H2,(H,13,15).
What are the key properties of N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 2292963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).