3-methyl-N-pentyl-2-sulfanylbutanamide

C10H21NOS — CID 107020320

IUPAC3-methyl-N-pentyl-2-sulfanylbutanamide
SMILESCCCCCNC(=O)C(S)C(C)C
InChIInChI=1S/C10H21NOS/c1-4-5-6-7-11-10(12)9(13)8(2)3/h8-9,13H,4-7H2,1-3H3,(H,11,12)
InChIKeyPPWMUUQTOIOGRO-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.25
Rot. Bonds6

About 3-methyl-N-pentyl-2-sulfanylbutanamide

3-methyl-N-pentyl-2-sulfanylbutanamide (PubChem CID 107020320) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-methyl-N-pentyl-2-sulfanylbutanamide.

Molecular Properties

Compound Name3-methyl-N-pentyl-2-sulfanylbutanamide
PubChem CID107020320
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-methyl-N-pentyl-2-sulfanylbutanamide
SMILESCCCCCNC(=O)C(S)C(C)C
InChIInChI=1S/C10H21NOS/c1-4-5-6-7-11-10(12)9(13)8(2)3/h8-9,13H,4-7H2,1-3H3,(H,11,12)
InChIKeyPPWMUUQTOIOGRO-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutyl)-3-methyl-2-sulfanylbutanamide
CID 107023481
3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-2-sulfanylbutanamide
CID 106040675
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
2-methyl-N-nonyldecanamide
CID 141429494
N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
CID 175959027
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
3-methyl-N-(2-methylsulfonylethyl)-2-sulfanylbutanamide
CID 107023632
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-sulfanylbutanamide
CID 107019789
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
CID 76925594
octylcarbamothioic S-acid
CID 25085683

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pentyl-2-sulfanylbutanamide?
The IUPAC name of 3-methyl-N-pentyl-2-sulfanylbutanamide (CID 107020320) is 3-methyl-N-pentyl-2-sulfanylbutanamide.
What is the SMILES notation for 3-methyl-N-pentyl-2-sulfanylbutanamide?
The canonical SMILES for 3-methyl-N-pentyl-2-sulfanylbutanamide is CCCCCNC(=O)C(S)C(C)C.
What is the InChIKey of 3-methyl-N-pentyl-2-sulfanylbutanamide?
The InChIKey is PPWMUUQTOIOGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-5-6-7-11-10(12)9(13)8(2)3/h8-9,13H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 3-methyl-N-pentyl-2-sulfanylbutanamide?
3-methyl-N-pentyl-2-sulfanylbutanamide has a molecular weight of 203.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pentyl-2-sulfanylbutanamide is sourced from PubChem (CID 107020320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).