N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide

C16H32N2OS — CID 65450102

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(C)C(N)=S
InChIInChI=1S/C16H32N2OS/c1-3-4-5-6-7-8-9-10-11-12-15(19)18-13-14(2)16(17)20/h14H,3-13H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyMBFWYWPKFXIPCT-UHFFFAOYSA-N
MW300.51 g/mol
LogP3.95
Rot. Bonds13

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide (PubChem CID 65450102) has the molecular formula C16H32N2OS and a molecular weight of 300.51 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide
PubChem CID65450102
Molecular FormulaC16H32N2OS
Molecular Weight300.51 g/mol
Exact Mass300.22
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(C)C(N)=S
InChIInChI=1S/C16H32N2OS/c1-3-4-5-6-7-8-9-10-11-12-15(19)18-13-14(2)16(17)20/h14H,3-13H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyMBFWYWPKFXIPCT-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 53.95
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-(2-aminopropyl)octadecanamide
CID 86003506
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
butyl 2,3-bis(octadecanoylamino)propanoate
CID 88849374
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
CID 65449719
N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide
CID 114752749
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)dodecanamide
CID 65448032
N-(2-amino-4-methylpentyl)dodecanamide
CID 107158867
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide
CID 65450288
N-(2-chloro-3-methylbutyl)heptanamide
CID 114754075
ethane;2-(ethylamino)-3-(octadecanoylamino)propanoic acid
CID 177324987
N-(2-methylpentyl)hexanamide
CID 173325003

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide (CID 65450102) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide is CCCCCCCCCCCC(=O)NCC(C)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide?
The InChIKey is MBFWYWPKFXIPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2OS/c1-3-4-5-6-7-8-9-10-11-12-15(19)18-13-14(2)16(17)20/h14H,3-13H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide has a molecular weight of 300.51 g/mol, XLogP of 3.95, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide is sourced from PubChem (CID 65450102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).