N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide

C13H26N4OS — CID 62545536

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
SMILESCN1CCCC(N(C)CC(=O)N(C)CCC(N)=S)C1
InChIInChI=1S/C13H26N4OS/c1-15-7-4-5-11(9-15)17(3)10-13(18)16(2)8-6-12(14)19/h11H,4-10H2,1-3H3,(H2,14,19)
InChIKeyKVJPHAWJHQGKSS-UHFFFAOYSA-N
MW286.44 g/mol
LogP0.15
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide (PubChem CID 62545536) has the molecular formula C13H26N4OS and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
PubChem CID62545536
Molecular FormulaC13H26N4OS
Molecular Weight286.44 g/mol
Exact Mass286.18
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
SMILESCN1CCCC(N(C)CC(=O)N(C)CCC(N)=S)C1
InChIInChI=1S/C13H26N4OS/c1-15-7-4-5-11(9-15)17(3)10-13(18)16(2)8-6-12(14)19/h11H,4-10H2,1-3H3,(H2,14,19)
InChIKeyKVJPHAWJHQGKSS-UHFFFAOYSA-N
XLogP0.15
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 43290375
ethyl 3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62546082
N-(4-aminophenyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545498
2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide
CID 62545950
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide
CID 65320420
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 112625577
N-(3-amino-3-sulfanylidenepropyl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 54995342
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide
CID 106201796
N-(3-amino-3-sulfanylidenepropyl)-3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylpropanamide
CID 79918805
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide (CID 62545536) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide is CN1CCCC(N(C)CC(=O)N(C)CCC(N)=S)C1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
The InChIKey is KVJPHAWJHQGKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS/c1-15-7-4-5-11(9-15)17(3)10-13(18)16(2)8-6-12(14)19/h11H,4-10H2,1-3H3,(H2,14,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide has a molecular weight of 286.44 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide is sourced from PubChem (CID 62545536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).