N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide

C10H21NOS — CID 107031128

IUPACN-(3-ethylpentan-3-yl)-3-sulfanylpropanamide
SMILESCCC(CC)(CC)NC(=O)CCS
InChIInChI=1S/C10H21NOS/c1-4-10(5-2,6-3)11-9(12)7-8-13/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeySISWAQWXXJKRGP-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.39
Rot. Bonds6

About N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide

N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide (PubChem CID 107031128) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-3-sulfanylpropanamide
PubChem CID107031128
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(3-ethylpentan-3-yl)-3-sulfanylpropanamide
SMILESCCC(CC)(CC)NC(=O)CCS
InChIInChI=1S/C10H21NOS/c1-4-10(5-2,6-3)11-9(12)7-8-13/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeySISWAQWXXJKRGP-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-ethylpentan-3-yl)hexanamide
CID 82852348
2-(ethylamino)-N-(3-ethylpentan-3-yl)acetamide
CID 65038491
N-methyl-3-sulfanylpropanamide
CID 642906
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865748
6-[3-(hydroxymethyl)pentan-3-ylamino]-6-oxohexanoic acid
CID 62523466
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylsulfanylpropanamide
CID 104630014
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-(3-ethylpentan-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107031119
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide
CID 62519658
N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide
CID 107031126

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide (CID 107031128) is N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide is CCC(CC)(CC)NC(=O)CCS.
What is the InChIKey of N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide?
The InChIKey is SISWAQWXXJKRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-10(5-2,6-3)11-9(12)7-8-13/h13H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide?
N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide has a molecular weight of 203.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 107031128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).