N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide

C12H25N3OS — CID 115899675

IUPACN,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide
SMILESCSC(C)CNC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H25N3OS/c1-10(17-4)9-13-11-5-7-15(8-6-11)12(16)14(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyCFIGBKXMPNZXLJ-UHFFFAOYSA-N
MW259.42 g/mol
LogP1.47
Rot. Bonds4

About N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide

N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide (PubChem CID 115899675) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide
PubChem CID115899675
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC NameN,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide
SMILESCSC(C)CNC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H25N3OS/c1-10(17-4)9-13-11-5-7-15(8-6-11)12(16)14(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyCFIGBKXMPNZXLJ-UHFFFAOYSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide (CID 115899675) is N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide is CSC(C)CNC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide?
The InChIKey is CFIGBKXMPNZXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-10(17-4)9-13-11-5-7-15(8-6-11)12(16)14(2)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide?
N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide has a molecular weight of 259.42 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide is sourced from PubChem (CID 115899675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).