N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide

C19H26N4O2S — CID 97374880

IUPACN-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
SMILESCn1cc(CN2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C19H26N4O2S/c1-22-14-16(13-20-22)15-23-11-9-19(10-12-23)8-7-18(19)21-26(24,25)17-5-3-2-4-6-17/h2-6,13-14,18,21H,7-12,15H2,1H3/t18-/m1/s1
InChIKeyKJAAVYLZVMPMMR-GOSISDBHSA-N
MW374.51 g/mol
LogP2.14
Rot. Bonds5

About N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide

N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide (PubChem CID 97374880) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
PubChem CID97374880
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
SMILESCn1cc(CN2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C19H26N4O2S/c1-22-14-16(13-20-22)15-23-11-9-19(10-12-23)8-7-18(19)21-26(24,25)17-5-3-2-4-6-17/h2-6,13-14,18,21H,7-12,15H2,1H3/t18-/m1/s1
InChIKeyKJAAVYLZVMPMMR-GOSISDBHSA-N
XLogP2.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374899
N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374891
N-[7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide;bis(2,2,2-trifluoroacetic acid)
CID 155848564
2-(benzenesulfonyl)-7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octane
CID 97392899
N-[7-(furan-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 155845063
N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
CID 131662142
N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374923
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide
CID 155880238
2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide
CID 131646801
(4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 124820856
N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298388

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide (CID 97374880) is N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide is Cn1cc(CN2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cn1.
What is the InChIKey of N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The InChIKey is KJAAVYLZVMPMMR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-22-14-16(13-20-22)15-23-11-9-19(10-12-23)8-7-18(19)21-26(24,25)17-5-3-2-4-6-17/h2-6,13-14,18,21H,7-12,15H2,1H3/t18-/m1/s1.
What are the key properties of N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide is sourced from PubChem (CID 97374880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).