N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide

C9H19NO2S — CID 107030746

IUPACN-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
SMILESCCCC(COC)NC(=O)C(C)S
InChIInChI=1S/C9H19NO2S/c1-4-5-8(6-12-3)10-9(11)7(2)13/h7-8,13H,4-6H2,1-3H3,(H,10,11)
InChIKeyZMQDGPRGESRMJO-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.24
Rot. Bonds6

About N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide

N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide (PubChem CID 107030746) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
PubChem CID107030746
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
SMILESCCCC(COC)NC(=O)C(C)S
InChIInChI=1S/C9H19NO2S/c1-4-5-8(6-12-3)10-9(11)7(2)13/h7-8,13H,4-6H2,1-3H3,(H,10,11)
InChIKeyZMQDGPRGESRMJO-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide
CID 79023147
3-amino-2-methoxy-N-(1-methoxypentan-2-yl)propanamide
CID 106112962
ethyl N-(1-methoxypentan-2-yl)carbamate
CID 64590516
2-hydroxy-N-(1-methoxypentan-2-yl)-2-methylpropanamide
CID 103430087
1-(1-methoxypentan-2-yl)-3-propylurea
CID 116656269
(2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide
CID 106161059
N-(1-methoxypentan-2-yl)-2-propoxyacetamide
CID 107941725
N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide
CID 119795721
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide
CID 106155168
2-amino-2-ethyl-N-(1-methoxypentan-2-yl)butanamide
CID 79813031
N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide
CID 116656284

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide?
The IUPAC name of N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide (CID 107030746) is N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide?
The canonical SMILES for N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide is CCCC(COC)NC(=O)C(C)S.
What is the InChIKey of N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide?
The InChIKey is ZMQDGPRGESRMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-5-8(6-12-3)10-9(11)7(2)13/h7-8,13H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide?
N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide has a molecular weight of 205.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 107030746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).