N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide

C15H30N2OS — CID 65449719

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)C(N)=S
InChIInChI=1S/C15H30N2OS/c1-3-4-5-6-7-8-9-10-11-12-14(18)17-13(2)15(16)19/h13H,3-12H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyZJAREOVUVFDIDW-UHFFFAOYSA-N
MW286.48 g/mol
LogP3.70
Rot. Bonds12

About N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide

N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide (PubChem CID 65449719) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
PubChem CID65449719
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)C(N)=S
InChIInChI=1S/C15H30N2OS/c1-3-4-5-6-7-8-9-10-11-12-14(18)17-13(2)15(16)19/h13H,3-12H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyZJAREOVUVFDIDW-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 53.70
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-1-sulfanylidenepropan-2-yl)heptanamide
CID 114752749
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)dodecanamide
CID 65448032
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide
CID 65450288
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
methyl (2S)-2-(7-oxododecanoylamino)propanoate
CID 54049046
N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide
CID 77069097
N-pentan-2-ylundecanamide
CID 173258559
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
2-(dodecanoylamino)propanoyl chloride
CID 146268547
N-butan-2-ylhexacosanamide
CID 163047877
N-octadecan-2-ylhexadecanamide
CID 87600664

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide (CID 65449719) is N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide is CCCCCCCCCCCC(=O)NC(C)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide?
The InChIKey is ZJAREOVUVFDIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-3-4-5-6-7-8-9-10-11-12-14(18)17-13(2)15(16)19/h13H,3-12H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide has a molecular weight of 286.48 g/mol, XLogP of 3.70, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide is sourced from PubChem (CID 65449719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).