N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide

C17H32N4O2S — CID 98129330

IUPACN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC1CCC(c2cc(CN(C)C)n(C)n2)CC1
InChIInChI=1S/C17H32N4O2S/c1-6-24(22,23)20(4)12-14-7-9-15(10-8-14)17-11-16(13-19(2)3)21(5)18-17/h11,14-15H,6-10,12-13H2,1-5H3
InChIKeyARAMIPIZFUDQEW-UHFFFAOYSA-N
MW356.54 g/mol
LogP2.04
Rot. Bonds7

About N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide

N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide (PubChem CID 98129330) has the molecular formula C17H32N4O2S and a molecular weight of 356.54 g/mol. Its IUPAC name is N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide
PubChem CID98129330
Molecular FormulaC17H32N4O2S
Molecular Weight356.54 g/mol
Exact Mass356.22
IUPAC NameN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC1CCC(c2cc(CN(C)C)n(C)n2)CC1
InChIInChI=1S/C17H32N4O2S/c1-6-24(22,23)20(4)12-14-7-9-15(10-8-14)17-11-16(13-19(2)3)21(5)18-17/h11,14-15H,6-10,12-13H2,1-5H3
InChIKeyARAMIPIZFUDQEW-UHFFFAOYSA-N
XLogP2.04
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide?
The IUPAC name of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide (CID 98129330) is N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)CC1CCC(c2cc(CN(C)C)n(C)n2)CC1.
What is the InChIKey of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide?
The InChIKey is ARAMIPIZFUDQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2S/c1-6-24(22,23)20(4)12-14-7-9-15(10-8-14)17-11-16(13-19(2)3)21(5)18-17/h11,14-15H,6-10,12-13H2,1-5H3.
What are the key properties of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide?
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide has a molecular weight of 356.54 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide is sourced from PubChem (CID 98129330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).