1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide

C12H21N5O3S — CID 61112044

IUPAC1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide
SMILESCCn1cc(S(=O)(=O)N2CCCCC2C(=O)NC)c(N)n1
InChIInChI=1S/C12H21N5O3S/c1-3-16-8-10(11(13)15-16)21(19,20)17-7-5-4-6-9(17)12(18)14-2/h8-9H,3-7H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyCYCWUMKFTTUGJI-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.23
Rot. Bonds4

About 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide

1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide (PubChem CID 61112044) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide
PubChem CID61112044
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide
SMILESCCn1cc(S(=O)(=O)N2CCCCC2C(=O)NC)c(N)n1
InChIInChI=1S/C12H21N5O3S/c1-3-16-8-10(11(13)15-16)21(19,20)17-7-5-4-6-9(17)12(18)14-2/h8-9H,3-7H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyCYCWUMKFTTUGJI-UHFFFAOYSA-N
XLogP-0.23
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
CID 60814183
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-1-ethylpyrazol-3-amine
CID 65318955
1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61112037
1-(5-amino-2-chlorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61113715
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927
2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
CID 61138398
3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide
CID 54922474
1-[(4-aminophenyl)methylsulfonyl]-N-methylpiperidine-2-carboxamide
CID 61112031
1-[4-(bromomethyl)phenyl]sulfonyl-N-methylpiperidine-2-carboxamide
CID 65480615
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide
CID 54922809
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N-methylpiperidine-2-carboxamide
CID 61046496

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide (CID 61112044) is 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide is CCn1cc(S(=O)(=O)N2CCCCC2C(=O)NC)c(N)n1.
What is the InChIKey of 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide?
The InChIKey is CYCWUMKFTTUGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-3-16-8-10(11(13)15-16)21(19,20)17-7-5-4-6-9(17)12(18)14-2/h8-9H,3-7H2,1-2H3,(H2,13,15)(H,14,18).
What are the key properties of 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide?
1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 61112044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).