N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide

C14H27N5O3S — CID 113053846

IUPACN-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCCN(C)C)CCNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C14H27N5O3S/c1-11-14(12(2)17-16-11)23(21,22)15-7-10-19(13(3)20)9-6-8-18(4)5/h15H,6-10H2,1-5H3,(H,16,17)
InChIKeySBMDZJYUBBDGGB-UHFFFAOYSA-N
MW345.47 g/mol
LogP0.11
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide

N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide (PubChem CID 113053846) has the molecular formula C14H27N5O3S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
PubChem CID113053846
Molecular FormulaC14H27N5O3S
Molecular Weight345.47 g/mol
Exact Mass345.18
IUPAC NameN-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCCN(C)C)CCNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C14H27N5O3S/c1-11-14(12(2)17-16-11)23(21,22)15-7-10-19(13(3)20)9-6-8-18(4)5/h15H,6-10H2,1-5H3,(H,16,17)
InChIKeySBMDZJYUBBDGGB-UHFFFAOYSA-N
XLogP0.11
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055517
N-tert-butyl-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056669
N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114133349
N-(3,5-dimethylphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113058066
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113065786
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061867
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
CID 43215038
N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914904

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide (CID 113053846) is N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCCN(C)C)CCNS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide?
The InChIKey is SBMDZJYUBBDGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3S/c1-11-14(12(2)17-16-11)23(21,22)15-7-10-19(13(3)20)9-6-8-18(4)5/h15H,6-10H2,1-5H3,(H,16,17).
What are the key properties of N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide?
N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113053846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).