N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide

C12H26N2OS — CID 107020634

IUPACN-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
SMILESCCN(CC)CCCC(C)NC(=O)C(C)S
InChIInChI=1S/C12H26N2OS/c1-5-14(6-2)9-7-8-10(3)13-12(15)11(4)16/h10-11,16H,5-9H2,1-4H3,(H,13,15)
InChIKeyGURGKERTOKQIRS-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.93
Rot. Bonds8

About N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide

N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide (PubChem CID 107020634) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
PubChem CID107020634
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
SMILESCCN(CC)CCCC(C)NC(=O)C(C)S
InChIInChI=1S/C12H26N2OS/c1-5-14(6-2)9-7-8-10(3)13-12(15)11(4)16/h10-11,16H,5-9H2,1-4H3,(H,13,15)
InChIKeyGURGKERTOKQIRS-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496126
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
N-(6-methylheptan-2-yl)-2-sulfanylpropanamide
CID 107025134
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329
methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
CID 112616629
5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
CID 114014573
(E)-4-[5-(diethylamino)pentan-2-ylamino]-4-oxobut-2-enoic acid
CID 5368003
2-amino-N-[5-(diethylamino)pentan-2-yl]-2-methylbutanamide
CID 79797132
2-[5-(diethylamino)pentan-2-ylamino]-N-propylpropanamide
CID 43087341

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide (CID 107020634) is N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide is CCN(CC)CCCC(C)NC(=O)C(C)S.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide?
The InChIKey is GURGKERTOKQIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-5-14(6-2)9-7-8-10(3)13-12(15)11(4)16/h10-11,16H,5-9H2,1-4H3,(H,13,15).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide?
N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide has a molecular weight of 246.42 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide is sourced from PubChem (CID 107020634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).