N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide

C15H27N5O3S — CID 120555090

IUPACN-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NC1CCNCC1C
InChIInChI=1S/C15H27N5O3S/c1-9-8-16-7-6-13(9)17-15(21)11(3)19-24(22,23)14-10(2)18-20(5)12(14)4/h9,11,13,16,19H,6-8H2,1-5H3,(H,17,21)
InChIKeyBFACWOAFOCMINH-UHFFFAOYSA-N
MW357.48 g/mol
LogP-0.18
Rot. Bonds5

About N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide

N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide (PubChem CID 120555090) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
PubChem CID120555090
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC NameN-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NC1CCNCC1C
InChIInChI=1S/C15H27N5O3S/c1-9-8-16-7-6-13(9)17-15(21)11(3)19-24(22,23)14-10(2)18-20(5)12(14)4/h9,11,13,16,19H,6-8H2,1-5H3,(H,17,21)
InChIKeyBFACWOAFOCMINH-UHFFFAOYSA-N
XLogP-0.18
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide (CID 120555090) is N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NC1CCNCC1C.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide?
The InChIKey is BFACWOAFOCMINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-9-8-16-7-6-13(9)17-15(21)11(3)19-24(22,23)14-10(2)18-20(5)12(14)4/h9,11,13,16,19H,6-8H2,1-5H3,(H,17,21).
What are the key properties of N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide?
N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide has a molecular weight of 357.48 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 120555090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).