(2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide

C11H17N3O2S — CID 39082461

IUPAC(2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCOCCCNC(=O)[C@H](C)Sc1ncccn1
InChIInChI=1S/C11H17N3O2S/c1-9(10(15)12-7-4-8-16-2)17-11-13-5-3-6-14-11/h3,5-6,9H,4,7-8H2,1-2H3,(H,12,15)/t9-/m0/s1
InChIKeyNPDSQYIQMOUYBX-VIFPVBQESA-N
MW255.34 g/mol
LogP1.11
Rot. Bonds7

About (2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide

(2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide (PubChem CID 39082461) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide
PubChem CID39082461
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCOCCCNC(=O)[C@H](C)Sc1ncccn1
InChIInChI=1S/C11H17N3O2S/c1-9(10(15)12-7-4-8-16-2)17-11-13-5-3-6-14-11/h3,5-6,9H,4,7-8H2,1-2H3,(H,12,15)/t9-/m0/s1
InChIKeyNPDSQYIQMOUYBX-VIFPVBQESA-N
XLogP1.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)propanamide
CID 43243187
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide
CID 43299392
N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 51234035
N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 47408950
2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylic acid
CID 43088963
N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 47119370
(2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide
CID 94149721
4-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79149512
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
2-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 134029703
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)propanamide
CID 134038648

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide (CID 39082461) is (2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide is COCCCNC(=O)[C@H](C)Sc1ncccn1.
What is the InChIKey of (2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide?
The InChIKey is NPDSQYIQMOUYBX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9(10(15)12-7-4-8-16-2)17-11-13-5-3-6-14-11/h3,5-6,9H,4,7-8H2,1-2H3,(H,12,15)/t9-/m0/s1.
What are the key properties of (2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide?
(2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide has a molecular weight of 255.34 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide is sourced from PubChem (CID 39082461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).