N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C13H18N4OS — CID 696369

IUPACN-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)NN=C2CCCC2)n1
InChIInChI=1S/C13H18N4OS/c1-9-7-10(2)15-13(14-9)19-8-12(18)17-16-11-5-3-4-6-11/h7H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyKONBKFWHCKWOFU-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.23
Rot. Bonds4

About N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 696369) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID696369
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)NN=C2CCCC2)n1
InChIInChI=1S/C13H18N4OS/c1-9-7-10(2)15-13(14-9)19-8-12(18)17-16-11-5-3-4-6-11/h7H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyKONBKFWHCKWOFU-UHFFFAOYSA-N
XLogP2.23
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]acetohydrazide
CID 668161
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 899467
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetamide
CID 840853
3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
CID 653464
N-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 663032
N-(5-methyl-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 2976289
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 975959
N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
CID 2772852
2-[[5-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3167546
2-(4,6-dimethylpyrimidin-2-yl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one
CID 53324607
N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2496710
2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 2587139

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 696369) is N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)NN=C2CCCC2)n1.
What is the InChIKey of N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is KONBKFWHCKWOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-7-10(2)15-13(14-9)19-8-12(18)17-16-11-5-3-4-6-11/h7H,3-6,8H2,1-2H3,(H,17,18).
What are the key properties of N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 278.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 696369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).