3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide

C16H34N2OS4 — CID 148563347

IUPAC3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide
SMILESCN(CCCSCCCS)C(=O)CCSCCCSCCCN
InChIInChI=1S/C16H34N2OS4/c1-18(8-3-11-22-12-4-9-20)16(19)6-15-23-14-5-13-21-10-2-7-17/h20H,2-15,17H2,1H3
InChIKeyMVKUZEMMUXMWOR-UHFFFAOYSA-N
MW398.73 g/mol
LogP3.48
Rot. Bonds17

About 3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide

3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide (PubChem CID 148563347) has the molecular formula C16H34N2OS4 and a molecular weight of 398.73 g/mol. Its IUPAC name is 3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide.

Molecular Properties

Compound Name3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide
PubChem CID148563347
Molecular FormulaC16H34N2OS4
Molecular Weight398.73 g/mol
Exact Mass398.16
IUPAC Name3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide
SMILESCN(CCCSCCCS)C(=O)CCSCCCSCCCN
InChIInChI=1S/C16H34N2OS4/c1-18(8-3-11-22-12-4-9-20)16(19)6-15-23-14-5-13-21-10-2-7-17/h20H,2-15,17H2,1H3
InChIKeyMVKUZEMMUXMWOR-UHFFFAOYSA-N
XLogP3.48
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.73
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide
CID 118943987
[3-[4-(3-aminopropylsulfanyl)butylsulfanyl]propanoyl-[3-[4-[3-[2-(diaminomethylideneazaniumyl)ethyl-[3-[4-[3-[diaminomethylideneazaniumylmethyl(methyl)amino]-3-oxopropyl]sulfanylbutylsulfanyl]propyl]amino]-3-oxopropyl]sulfanylbutylsulfanyl]propyl]amino]methyl-(diaminomethylidene)azanium
CID 155640510
N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
CID 117126542
N-methyl-N-propyl-3-propylsulfanylpropanamide
CID 88902574
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-3-[bis(2-hydroxyethyl)amino]-N-methylpropanamide
CID 61244464
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide
CID 62884866
S-(3-aminopropyl) 3-(dimethylamino)propanethioate;dihydrochloride
CID 23187639

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide?
The IUPAC name of 3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide (CID 148563347) is 3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide.
What is the SMILES notation for 3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide?
The canonical SMILES for 3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide is CN(CCCSCCCS)C(=O)CCSCCCSCCCN.
What is the InChIKey of 3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide?
The InChIKey is MVKUZEMMUXMWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2OS4/c1-18(8-3-11-22-12-4-9-20)16(19)6-15-23-14-5-13-21-10-2-7-17/h20H,2-15,17H2,1H3.
What are the key properties of 3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide?
3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide has a molecular weight of 398.73 g/mol, XLogP of 3.48, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide is sourced from PubChem (CID 148563347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).