4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide

C13H25N3O3S — CID 83260972

IUPAC4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NC2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-15(2)13(17)16-7-3-11(4-8-16)14-12-5-9-20(18,19)10-6-12/h11-12,14H,3-10H2,1-2H3
InChIKeyPREMNBXZYZYROO-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.30
Rot. Bonds2

About 4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide

4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83260972) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83260972
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NC2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-15(2)13(17)16-7-3-11(4-8-16)14-12-5-9-20(18,19)10-6-12/h11-12,14H,3-10H2,1-2H3
InChIKeyPREMNBXZYZYROO-UHFFFAOYSA-N
XLogP0.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83202160
4-(cyclohexylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83199527
N,N-dimethyl-4-[(3-methylcyclobutyl)amino]piperidine-1-carboxamide
CID 115899665
4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83201910
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749
4-(1-cyclopropylethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83198312
N,N-dimethyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]piperidine-1-carboxamide
CID 103914469
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83207677
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
ethane;4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 177000200

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide (CID 83260972) is 4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(NC2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is PREMNBXZYZYROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-15(2)13(17)16-7-3-11(4-8-16)14-12-5-9-20(18,19)10-6-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide?
4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83260972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).