N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

C17H27N3O3S2 — CID 119574659

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCC(CN)(NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CC1
InChIInChI=1S/C17H27N3O3S2/c1-17(12-18,13-5-6-13)19-15(21)11-14-7-8-16(24-14)25(22,23)20-9-3-2-4-10-20/h7-8,13H,2-6,9-12,18H2,1H3,(H,19,21)
InChIKeyQNIVPSVOKRLOOI-UHFFFAOYSA-N
MW385.56 g/mol
LogP1.71
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 119574659) has the molecular formula C17H27N3O3S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID119574659
Molecular FormulaC17H27N3O3S2
Molecular Weight385.56 g/mol
Exact Mass385.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCC(CN)(NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CC1
InChIInChI=1S/C17H27N3O3S2/c1-17(12-18,13-5-6-13)19-15(21)11-14-7-8-16(24-14)25(22,23)20-9-3-2-4-10-20/h7-8,13H,2-6,9-12,18H2,1H3,(H,19,21)
InChIKeyQNIVPSVOKRLOOI-UHFFFAOYSA-N
XLogP1.71
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119573230
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-[2-(aminomethyl)cyclopentyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119603615
N-[2-(aminomethyl)cyclohexyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119610644
N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119407534
N-pyrrolidin-3-yl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119451561
N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26119177
N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35535192
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119497975
N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51155075
1-(4-aminopiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119375493
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119650907

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 119574659) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is CC(CN)(NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is QNIVPSVOKRLOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S2/c1-17(12-18,13-5-6-13)19-15(21)11-14-7-8-16(24-14)25(22,23)20-9-3-2-4-10-20/h7-8,13H,2-6,9-12,18H2,1H3,(H,19,21).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 385.56 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 119574659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).