N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide

C14H28N2OS — CID 65450288

IUPACN-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide
SMILESCCCCCCCCC(=O)NC(C(N)=S)C(C)C
InChIInChI=1S/C14H28N2OS/c1-4-5-6-7-8-9-10-12(17)16-13(11(2)3)14(15)18/h11,13H,4-10H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyRWIBQUHQHQGKOP-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.16
Rot. Bonds10

About N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide

N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide (PubChem CID 65450288) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide
PubChem CID65450288
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide
SMILESCCCCCCCCC(=O)NC(C(N)=S)C(C)C
InChIInChI=1S/C14H28N2OS/c1-4-5-6-7-8-9-10-12(17)16-13(11(2)3)14(15)18/h11,13H,4-10H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyRWIBQUHQHQGKOP-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)dodecanamide
CID 65448032
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
CID 65449719
N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide
CID 114752749
2-(hexadecanoylamino)-3-methylbutanoic acid
CID 3687398
N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide
CID 158440925
(2S)-3-methyl-2-(tetracosanoylamino)butanoic acid
CID 171117118
(2R)-3-methyl-2-(nonanoylamino)butanoic acid
CID 79010632
sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid
CID 174755034
N-pentan-2-ylundecanamide
CID 173258559
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-butan-2-ylhexacosanamide
CID 163047877
N-octadecan-2-ylhexadecanamide
CID 87600664

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide?
The IUPAC name of N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide (CID 65450288) is N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide?
The canonical SMILES for N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide is CCCCCCCCC(=O)NC(C(N)=S)C(C)C.
What is the InChIKey of N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide?
The InChIKey is RWIBQUHQHQGKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-4-5-6-7-8-9-10-12(17)16-13(11(2)3)14(15)18/h11,13H,4-10H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide?
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide has a molecular weight of 272.46 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide is sourced from PubChem (CID 65450288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).