N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide

C14H28N4OS — CID 43290375

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
SMILESCN1CCC(N(C)CCC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C14H28N4OS/c1-16-8-4-12(5-9-16)17(2)11-7-14(19)18(3)10-6-13(15)20/h12H,4-11H2,1-3H3,(H2,15,20)
InChIKeyBARYMKFMPCCPQW-UHFFFAOYSA-N
MW300.47 g/mol
LogP0.54
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide (PubChem CID 43290375) has the molecular formula C14H28N4OS and a molecular weight of 300.47 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
PubChem CID43290375
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
SMILESCN1CCC(N(C)CCC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C14H28N4OS/c1-16-8-4-12(5-9-16)17(2)11-7-14(19)18(3)10-6-13(15)20/h12H,4-11H2,1-3H3,(H2,15,20)
InChIKeyBARYMKFMPCCPQW-UHFFFAOYSA-N
XLogP0.54
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 50.54
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)-3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-methylpropanamide
CID 43648745
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82737626
5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid
CID 60950966
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 63207759
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545536
1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide
CID 43290344
N-(3-amino-3-sulfanylidenepropyl)-3-[(2-hydroxycyclohexyl)-methylamino]-N-methylpropanamide
CID 102632300
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanamide
CID 103495779
N-(3-amino-3-sulfanylidenepropyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylpropanamide
CID 43592093
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 112625577
N-(3-amino-3-sulfanylidenepropyl)-3-(4-ethoxypiperidin-1-yl)-N-methylpropanamide
CID 61220713
N-(3-amino-3-sulfanylidenepropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide (CID 43290375) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide is CN1CCC(N(C)CCC(=O)N(C)CCC(N)=S)CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
The InChIKey is BARYMKFMPCCPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-16-8-4-12(5-9-16)17(2)11-7-14(19)18(3)10-6-13(15)20/h12H,4-11H2,1-3H3,(H2,15,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide has a molecular weight of 300.47 g/mol, XLogP of 0.54, 7 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-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide is sourced from PubChem (CID 43290375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).