2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide

C14H30N2OS — CID 114127230

IUPAC2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCCCCCSC
InChIInChI=1S/C14H30N2OS/c1-5-13(6-2)16-14(17)12(3)15-10-8-7-9-11-18-4/h12-13,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyVCLXWPKNBCEXJV-UHFFFAOYSA-N
MW274.47 g/mol
LogP2.80
Rot. Bonds11

About 2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide

2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide (PubChem CID 114127230) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is 2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide
PubChem CID114127230
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC Name2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCCCCCSC
InChIInChI=1S/C14H30N2OS/c1-5-13(6-2)16-14(17)12(3)15-10-8-7-9-11-18-4/h12-13,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyVCLXWPKNBCEXJV-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-(5-methylsulfanylpentylamino)propanamide
CID 114127259
2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
CID 107814906
2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
CID 79003313
2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
CID 62275033
N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide
CID 114127252
(2S)-2-(4-methylsulfanylbutylamino)butan-1-ol
CID 103088479
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
CID 43112397
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528
2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
CID 43591061
N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
CID 79393960
(2S)-2-(octadecylamino)propanoic acid
CID 54367434

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide (CID 114127230) is 2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NCCCCCSC.
What is the InChIKey of 2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide?
The InChIKey is VCLXWPKNBCEXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2OS/c1-5-13(6-2)16-14(17)12(3)15-10-8-7-9-11-18-4/h12-13,15H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide?
2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide has a molecular weight of 274.47 g/mol, XLogP of 2.80, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 114127230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).