N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

C14H21N3OS — CID 6469527

IUPACN-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)NC2CCCCCC2)n1
InChIInChI=1S/C14H21N3OS/c1-11-8-9-15-14(16-11)19-10-13(18)17-12-6-4-2-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H,17,18)
InChIKeyVLKHFMRFGJJJON-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.72
Rot. Bonds4

About N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 6469527) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID6469527
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)NC2CCCCCC2)n1
InChIInChI=1S/C14H21N3OS/c1-11-8-9-15-14(16-11)19-10-13(18)17-12-6-4-2-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H,17,18)
InChIKeyVLKHFMRFGJJJON-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CID 6469527) is N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is Cc1ccnc(SCC(=O)NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is VLKHFMRFGJJJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-11-8-9-15-14(16-11)19-10-13(18)17-12-6-4-2-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H,17,18).
What are the key properties of N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 279.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 6469527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).