2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide

C13H15N3OS2 — CID 66385351

IUPAC2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1sccc1N
InChIInChI=1S/C13H15N3OS2/c14-9-5-6-18-12(9)7-16-10-3-1-2-4-11(10)19-8-13(15)17/h1-6,16H,7-8,14H2,(H2,15,17)
InChIKeyBCSJNPWIRRNFAP-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.52
Rot. Bonds6

About 2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide

2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide (PubChem CID 66385351) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide
PubChem CID66385351
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1sccc1N
InChIInChI=1S/C13H15N3OS2/c14-9-5-6-18-12(9)7-16-10-3-1-2-4-11(10)19-8-13(15)17/h1-6,16H,7-8,14H2,(H2,15,17)
InChIKeyBCSJNPWIRRNFAP-UHFFFAOYSA-N
XLogP2.52
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(5-nitrothiophen-3-yl)methylamino]phenyl]sulfanylacetamide
CID 60810588
2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide
CID 99618872
3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide
CID 66385546
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231940
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 43231952
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 102833084
2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide
CID 134061199
2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 63047090

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide (CID 66385351) is 2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NCc1sccc1N.
What is the InChIKey of 2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide?
The InChIKey is BCSJNPWIRRNFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c14-9-5-6-18-12(9)7-16-10-3-1-2-4-11(10)19-8-13(15)17/h1-6,16H,7-8,14H2,(H2,15,17).
What are the key properties of 2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide?
2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide has a molecular weight of 293.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 66385351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).