N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

C14H19N5OS — CID 106614179

IUPACN-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc2c1N=S=N2)CC1CCCN1
InChIInChI=1S/C14H19N5OS/c1-19(8-10-4-3-7-15-10)9-13(20)16-11-5-2-6-12-14(11)18-21-17-12/h2,5-6,10,15H,3-4,7-9H2,1H3,(H,16,20)
InChIKeyAOVMILOEMMRLFL-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.04
Rot. Bonds5

About N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide

N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106614179) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106614179
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc2c1N=S=N2)CC1CCCN1
InChIInChI=1S/C14H19N5OS/c1-19(8-10-4-3-7-15-10)9-13(20)16-11-5-2-6-12-14(11)18-21-17-12/h2,5-6,10,15H,3-4,7-9H2,1H3,(H,16,20)
InChIKeyAOVMILOEMMRLFL-UHFFFAOYSA-N
XLogP2.04
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613869
2-[3-aminopropyl(methyl)amino]-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide
CID 81493337
N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614250
N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614241
2-[methyl(piperidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106635732
N-(3-iodophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635710
N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635701
N-(2,5-difluorophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635385
2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 106613623
N-ethyl-N-(pyrrolidin-2-ylmethyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 106608086
N-(3-ethylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635534
N-(4-bromo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635384

Frequently Asked Questions

What is the IUPAC name of N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106614179) is N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is CN(CC(=O)Nc1cccc2c1N=S=N2)CC1CCCN1.
What is the InChIKey of N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is AOVMILOEMMRLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-19(8-10-4-3-7-15-10)9-13(20)16-11-5-2-6-12-14(11)18-21-17-12/h2,5-6,10,15H,3-4,7-9H2,1H3,(H,16,20).
What are the key properties of N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 305.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106614179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).