2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide

C10H17N5O3S — CID 102692272

IUPAC2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C10H17N5O3S/c11-9(16)8-14-4-1-5-15(7-6-14)19(17,18)10-2-3-12-13-10/h2-3H,1,4-8H2,(H2,11,16)(H,12,13)
InChIKeyILFHBGFBOJHOTN-UHFFFAOYSA-N
MW287.34 g/mol
LogP-1.41
Rot. Bonds4

About 2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide

2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 102692272) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID102692272
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C10H17N5O3S/c11-9(16)8-14-4-1-5-15(7-6-14)19(17,18)10-2-3-12-13-10/h2-3H,1,4-8H2,(H2,11,16)(H,12,13)
InChIKeyILFHBGFBOJHOTN-UHFFFAOYSA-N
XLogP-1.41
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]ethanethioamide
CID 102691203
1-(1H-pyrazol-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 102692027
2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 61298632
2-[4-(chloromethylsulfonyl)-1,4-diazepan-1-yl]acetamide
CID 63666188
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate
CID 102693712
2-(azetidin-1-yl)acetamide
CID 18923030
1-(4-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691515
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4194583
3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693933
1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691816
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 43816576

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide (CID 102692272) is 2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide is NC(=O)CN1CCCN(S(=O)(=O)c2ccn[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is ILFHBGFBOJHOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c11-9(16)8-14-4-1-5-15(7-6-14)19(17,18)10-2-3-12-13-10/h2-3H,1,4-8H2,(H2,11,16)(H,12,13).
What are the key properties of 2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide?
2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 287.34 g/mol, XLogP of -1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 102692272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).