CID 59411884

C14H28N3O2S — CID 59411884

IUPAC—
SMILESCC(C)NC(=O)[CH]CSCCC(=O)NCCCN(C)C
InChIInChI=1S/C14H28N3O2S/c1-12(2)16-14(19)7-11-20-10-6-13(18)15-8-5-9-17(3)4/h7,12H,5-6,8-11H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyVDCPYZSDTWHWQW-UHFFFAOYSA-N
MW302.46 g/mol
LogP0.91
Rot. Bonds11

About CID 59411884

CID 59411884 (PubChem CID 59411884) has the molecular formula C14H28N3O2S and a molecular weight of 302.46 g/mol.

Molecular Properties

Compound NameCID 59411884
PubChem CID59411884
Molecular FormulaC14H28N3O2S
Molecular Weight302.46 g/mol
Exact Mass302.19
IUPAC Name—
SMILESCC(C)NC(=O)[CH]CSCCC(=O)NCCCN(C)C
InChIInChI=1S/C14H28N3O2S/c1-12(2)16-14(19)7-11-20-10-6-13(18)15-8-5-9-17(3)4/h7,12H,5-6,8-11H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyVDCPYZSDTWHWQW-UHFFFAOYSA-N
XLogP0.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 59411874
CID 59411874
N-[3-(dimethylamino)propyl]-3-(methyldisulfanyl)propanamide
CID 89390385
CID 59411891
CID 59411891
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
CID 23187599
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide
CID 23187588
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915

Frequently Asked Questions

What is the IUPAC name of CID 59411884?
The IUPAC name of CID 59411884 (CID 59411884) is not available.
What is the SMILES notation for CID 59411884?
The canonical SMILES for CID 59411884 is CC(C)NC(=O)[CH]CSCCC(=O)NCCCN(C)C.
What is the InChIKey of CID 59411884?
The InChIKey is VDCPYZSDTWHWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N3O2S/c1-12(2)16-14(19)7-11-20-10-6-13(18)15-8-5-9-17(3)4/h7,12H,5-6,8-11H2,1-4H3,(H,15,18)(H,16,19).
What are the key properties of CID 59411884?
CID 59411884 has a molecular weight of 302.46 g/mol, XLogP of 0.91, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59411884 is sourced from PubChem (CID 59411884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).