N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride

C14H26ClN5O3S — CID 119415813

IUPACN-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)N1CCCNCC1.Cl
InChIInChI=1S/C14H25N5O3S.ClH/c1-10-13(12(3)18(4)16-10)23(21,22)17-11(2)14(20)19-8-5-6-15-7-9-19;/h11,15,17H,5-9H2,1-4H3;1H
InChIKeyWLEUPMJTTVGYQO-UHFFFAOYSA-N
MW379.91 g/mol
LogP-0.05
Rot. Bonds4

About N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride

N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 119415813) has the molecular formula C14H26ClN5O3S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
PubChem CID119415813
Molecular FormulaC14H26ClN5O3S
Molecular Weight379.91 g/mol
Exact Mass379.14
IUPAC NameN-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)N1CCCNCC1.Cl
InChIInChI=1S/C14H25N5O3S.ClH/c1-10-13(12(3)18(4)16-10)23(21,22)17-11(2)14(20)19-8-5-6-15-7-9-19;/h11,15,17H,5-9H2,1-4H3;1H
InChIKeyWLEUPMJTTVGYQO-UHFFFAOYSA-N
XLogP-0.05
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-aminopiperidin-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 119378888
1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
CID 95281378
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 120818233
(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370543
(2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
CID 97323918
1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepane
CID 43361719
N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119824243
N,N-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 47372336
N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119535173
N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 120555090
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
CID 119171432
1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
CID 155947004

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride (CID 119415813) is N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride is Cc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)N1CCCNCC1.Cl.
What is the InChIKey of N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is WLEUPMJTTVGYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S.ClH/c1-10-13(12(3)18(4)16-10)23(21,22)17-11(2)14(20)19-8-5-6-15-7-9-19;/h11,15,17H,5-9H2,1-4H3;1H.
What are the key properties of N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119415813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).