N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide

C19H34N4O3S — CID 155875275

IUPACN-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide
SMILESCCn1cc(CN2CCC3(CCC(CNS(=O)(=O)C(C)C)OC3)CC2)cn1
InChIInChI=1S/C19H34N4O3S/c1-4-23-14-17(11-20-23)13-22-9-7-19(8-10-22)6-5-18(26-15-19)12-21-27(24,25)16(2)3/h11,14,16,18,21H,4-10,12-13,15H2,1-3H3
InChIKeyWKGRFRURXMIPDX-UHFFFAOYSA-N
MW398.57 g/mol
LogP1.99
Rot. Bonds7

About N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide

N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide (PubChem CID 155875275) has the molecular formula C19H34N4O3S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide
PubChem CID155875275
Molecular FormulaC19H34N4O3S
Molecular Weight398.57 g/mol
Exact Mass398.24
IUPAC NameN-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide
SMILESCCn1cc(CN2CCC3(CCC(CNS(=O)(=O)C(C)C)OC3)CC2)cn1
InChIInChI=1S/C19H34N4O3S/c1-4-23-14-17(11-20-23)13-22-9-7-19(8-10-22)6-5-18(26-15-19)12-21-27(24,25)16(2)3/h11,14,16,18,21H,4-10,12-13,15H2,1-3H3
InChIKeyWKGRFRURXMIPDX-UHFFFAOYSA-N
XLogP1.99
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine
CID 131657863
N-[[9-(2,3-dihydro-1H-inden-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]ethanesulfonamide
CID 155875190
1-[(9-benzyl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-3-methylurea
CID 131642287
2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62592588
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
1-[(3R)-8-[(1-ethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124952937
2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70782523
[1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780625
1-ethyl-4-(oxiran-2-ylmethyl)pyrazole
CID 115410523
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920

Frequently Asked Questions

What is the IUPAC name of N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide (CID 155875275) is N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide is CCn1cc(CN2CCC3(CCC(CNS(=O)(=O)C(C)C)OC3)CC2)cn1.
What is the InChIKey of N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide?
The InChIKey is WKGRFRURXMIPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3S/c1-4-23-14-17(11-20-23)13-22-9-7-19(8-10-22)6-5-18(26-15-19)12-21-27(24,25)16(2)3/h11,14,16,18,21H,4-10,12-13,15H2,1-3H3.
What are the key properties of N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide?
N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide has a molecular weight of 398.57 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[9-[(1-ethylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 155875275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).