N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

C14H21N3O2S — CID 135516102

IUPACN-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1cc(=O)[nH]c(SC(C)C(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H21N3O2S/c1-9-8-12(18)17-14(15-9)20-10(2)13(19)16-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyHPAGZVDIYUPGPD-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.01
Rot. Bonds4

About N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 135516102) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID135516102
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1cc(=O)[nH]c(SC(C)C(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H21N3O2S/c1-9-8-12(18)17-14(15-9)20-10(2)13(19)16-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyHPAGZVDIYUPGPD-UHFFFAOYSA-N
XLogP2.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 135516102) is N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is Cc1cc(=O)[nH]c(SC(C)C(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is HPAGZVDIYUPGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-8-12(18)17-14(15-9)20-10(2)13(19)16-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,16,19)(H,15,17,18).
What are the key properties of N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 295.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 135516102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).