N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C15H24N2O3S2 — CID 134006152

IUPACN-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCC(C)N(C)C(=O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C15H24N2O3S2/c1-4-12(2)16(3)15(18)13-7-5-9-17(11-13)22(19,20)14-8-6-10-21-14/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3
InChIKeyDMYLNDHLNXWZIX-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.41
Rot. Bonds5

About N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 134006152) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID134006152
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCC(C)N(C)C(=O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C15H24N2O3S2/c1-4-12(2)16(3)15(18)13-7-5-9-17(11-13)22(19,20)14-8-6-10-21-14/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3
InChIKeyDMYLNDHLNXWZIX-UHFFFAOYSA-N
XLogP2.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55602177
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
(3R)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 39947737
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55451031
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(3R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95875407
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55414873
N-(2-hydroxycyclohexyl)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 70703100
N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24502988

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 134006152) is N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CCC(C)N(C)C(=O)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is DMYLNDHLNXWZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-4-12(2)16(3)15(18)13-7-5-9-17(11-13)22(19,20)14-8-6-10-21-14/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 134006152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).