2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide

C12H18N2OS2 — CID 114233479

IUPAC2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide
SMILESCc1ccsc1C(CN)SCC(=O)NC1CC1
InChIInChI=1S/C12H18N2OS2/c1-8-4-5-16-12(8)10(6-13)17-7-11(15)14-9-2-3-9/h4-5,9-10H,2-3,6-7,13H2,1H3,(H,14,15)
InChIKeyCJZSVDBDRQQVLQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.07
Rot. Bonds6

About 2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide

2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide (PubChem CID 114233479) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide
PubChem CID114233479
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide
SMILESCc1ccsc1C(CN)SCC(=O)NC1CC1
InChIInChI=1S/C12H18N2OS2/c1-8-4-5-16-12(8)10(6-13)17-7-11(15)14-9-2-3-9/h4-5,9-10H,2-3,6-7,13H2,1H3,(H,14,15)
InChIKeyCJZSVDBDRQQVLQ-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide
CID 114233493
N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 63992875
2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide
CID 114233336
methyl 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylpropanoate
CID 78842715
3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 47127701
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194728
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
CID 62942981
1-cyclopropyl-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 78989976
N-cyclopropyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198363
3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851424
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 113335529
2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 43249136

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide (CID 114233479) is 2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide is Cc1ccsc1C(CN)SCC(=O)NC1CC1.
What is the InChIKey of 2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide?
The InChIKey is CJZSVDBDRQQVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-8-4-5-16-12(8)10(6-13)17-7-11(15)14-9-2-3-9/h4-5,9-10H,2-3,6-7,13H2,1H3,(H,14,15).
What are the key properties of 2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide?
2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide has a molecular weight of 270.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide is sourced from PubChem (CID 114233479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).