N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide

C11H22N2OS — CID 59882063

IUPACN,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide
SMILESCC(C)SC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C11H22N2OS/c1-9(2)15-10-5-7-13(8-6-10)11(14)12(3)4/h9-10H,5-8H2,1-4H3
InChIKeyQTGVMUQJOOVLGK-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.27
Rot. Bonds2

About N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide

N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide (PubChem CID 59882063) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide
PubChem CID59882063
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide
SMILESCC(C)SC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C11H22N2OS/c1-9(2)15-10-5-7-13(8-6-10)11(14)12(3)4/h9-10H,5-8H2,1-4H3
InChIKeyQTGVMUQJOOVLGK-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide (CID 59882063) is N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide is CC(C)SC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide?
The InChIKey is QTGVMUQJOOVLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(2)15-10-5-7-13(8-6-10)11(14)12(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide?
N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylsulfanylpiperidine-1-carboxamide is sourced from PubChem (CID 59882063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).