N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C18H31N3O3S2 — CID 55451031

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)N(CCNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)C(C)C
InChIInChI=1S/C18H31N3O3S2/c1-14(2)21(15(3)4)11-9-19-18(22)16-7-5-10-20(13-16)26(23,24)17-8-6-12-25-17/h6,8,12,14-16H,5,7,9-11,13H2,1-4H3,(H,19,22)
InChIKeyQHTJREYVZOYOCO-UHFFFAOYSA-N
MW401.60 g/mol
LogP2.38
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 55451031) has the molecular formula C18H31N3O3S2 and a molecular weight of 401.60 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID55451031
Molecular FormulaC18H31N3O3S2
Molecular Weight401.60 g/mol
Exact Mass401.18
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)N(CCNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)C(C)C
InChIInChI=1S/C18H31N3O3S2/c1-14(2)21(15(3)4)11-9-19-18(22)16-7-5-10-20(13-16)26(23,24)17-8-6-12-25-17/h6,8,12,14-16H,5,7,9-11,13H2,1-4H3,(H,19,22)
InChIKeyQHTJREYVZOYOCO-UHFFFAOYSA-N
XLogP2.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(3S)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38017869
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43917011
(3R)-N-[2-(1-methylpiperidin-4-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95875459
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019515
N-[3-(4-methylpiperazin-1-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43905757
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30783507
N-(2-naphthalen-1-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46442413
(3S)-N-(2-cyclohexylsulfanylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802318

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 55451031) is N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CC(C)N(CCNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is QHTJREYVZOYOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S2/c1-14(2)21(15(3)4)11-9-19-18(22)16-7-5-10-20(13-16)26(23,24)17-8-6-12-25-17/h6,8,12,14-16H,5,7,9-11,13H2,1-4H3,(H,19,22).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 401.60 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55451031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).