N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide

C14H26N4O2S — CID 56780541

IUPACN,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide
SMILESCc1cnn(CC2CCCN2CCCS(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H26N4O2S/c1-13-10-15-18(11-13)12-14-6-4-7-17(14)8-5-9-21(19,20)16(2)3/h10-11,14H,4-9,12H2,1-3H3
InChIKeyYQOBJEFRDTVXST-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.94
Rot. Bonds7

About N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide

N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide (PubChem CID 56780541) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide
PubChem CID56780541
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide
SMILESCc1cnn(CC2CCCN2CCCS(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H26N4O2S/c1-13-10-15-18(11-13)12-14-6-4-7-17(14)8-5-9-21(19,20)16(2)3/h10-11,14H,4-9,12H2,1-3H3
InChIKeyYQOBJEFRDTVXST-UHFFFAOYSA-N
XLogP0.94
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 53621134
4-Methyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 53626617
2-[(4-Methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine
CID 56780379
2-[(4-Methylpyrazol-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine
CID 72141347
3-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 72141875
N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine
CID 75425359
8-[(1-Methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 97372627
1-[(1-Methylpyrazol-4-yl)methyl]-8-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 97493665
1-[(1-Methylsulfonylpyrrolidin-2-yl)methyl]pyrazole
CID 118740188
9-[(1-Methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 118745528
1-Methylsulfonyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperidine
CID 91921489
1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 28731287

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide (CID 56780541) is N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide is Cc1cnn(CC2CCCN2CCCS(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide?
The InChIKey is YQOBJEFRDTVXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-13-10-15-18(11-13)12-14-6-4-7-17(14)8-5-9-21(19,20)16(2)3/h10-11,14H,4-9,12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide?
N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 0.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 56780541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).