3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide

C10H16N2O2S2 — CID 106308533

IUPAC3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCCSCCCO
InChIInChI=1S/C10H16N2O2S2/c11-8-2-6-16-9(8)10(14)12-3-7-15-5-1-4-13/h2,6,13H,1,3-5,7,11H2,(H,12,14)
InChIKeyDIODPDULVATIIC-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.18
Rot. Bonds7

About 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide

3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide (PubChem CID 106308533) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide
PubChem CID106308533
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCCSCCCO
InChIInChI=1S/C10H16N2O2S2/c11-8-2-6-16-9(8)10(14)12-3-7-15-5-1-4-13/h2,6,13H,1,3-5,7,11H2,(H,12,14)
InChIKeyDIODPDULVATIIC-UHFFFAOYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
CID 61092677
2-amino-5-hydroxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 106308498
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylbenzamide
CID 106308543
2-(4-aminophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 106308475
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 103800830
3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61090030
3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 113480998
3,6-dichloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-benzothiophene-2-carboxamide
CID 103800775
4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide
CID 106308600
3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide
CID 106289141
3-amino-5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 114171675

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide (CID 106308533) is 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide is Nc1ccsc1C(=O)NCCSCCCO.
What is the InChIKey of 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide?
The InChIKey is DIODPDULVATIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c11-8-2-6-16-9(8)10(14)12-3-7-15-5-1-4-13/h2,6,13H,1,3-5,7,11H2,(H,12,14).
What are the key properties of 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide?
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 106308533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).