2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide

C16H33N3OS — CID 102993358

IUPAC2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide
SMILESCCN(CC)CCCN(CC)C(=O)C(CC)(CC)C(N)=S
InChIInChI=1S/C16H33N3OS/c1-6-16(7-2,14(17)21)15(20)19(10-5)13-11-12-18(8-3)9-4/h6-13H2,1-5H3,(H2,17,21)
InChIKeyBVSYXERNOSKETI-UHFFFAOYSA-N
MW315.53 g/mol
LogP2.66
Rot. Bonds11

About 2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide

2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide (PubChem CID 102993358) has the molecular formula C16H33N3OS and a molecular weight of 315.53 g/mol. Its IUPAC name is 2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide
PubChem CID102993358
Molecular FormulaC16H33N3OS
Molecular Weight315.53 g/mol
Exact Mass315.23
IUPAC Name2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide
SMILESCCN(CC)CCCN(CC)C(=O)C(CC)(CC)C(N)=S
InChIInChI=1S/C16H33N3OS/c1-6-16(7-2,14(17)21)15(20)19(10-5)13-11-12-18(8-3)9-4/h6-13H2,1-5H3,(H2,17,21)
InChIKeyBVSYXERNOSKETI-UHFFFAOYSA-N
XLogP2.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide
CID 102993073
N-butyl-N,2-diethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920876
N-[3-(diethylamino)propyl]-N-ethylacetamide
CID 102998319
2-[3-(diethylamino)propyl-ethylamino]acetamide
CID 102996272
2-carbamothioyl-N-ethyl-N-(2-hydroxyethyl)-2-methylbutanamide
CID 114291987
1-carbamothioyl-N-[3-(diethylamino)propyl]-N-ethylcyclopropane-1-carboxamide
CID 102993363
2-carbamothioyl-2-ethyl-N-methyl-N-(3-methylsulfanylpropyl)butanamide
CID 114237236
1-amino-1-[3-(diethylamino)propyl]thiourea
CID 87317226
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
3-[bis[3-(diethylamino)propyl]amino]propanamide
CID 87989478
N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide
CID 102991803
7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide
CID 102993033

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide?
The IUPAC name of 2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide (CID 102993358) is 2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide is CCN(CC)CCCN(CC)C(=O)C(CC)(CC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide?
The InChIKey is BVSYXERNOSKETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3OS/c1-6-16(7-2,14(17)21)15(20)19(10-5)13-11-12-18(8-3)9-4/h6-13H2,1-5H3,(H2,17,21).
What are the key properties of 2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide?
2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide has a molecular weight of 315.53 g/mol, XLogP of 2.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-[3-(diethylamino)propyl]-N,2-diethylbutanamide is sourced from PubChem (CID 102993358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).