(7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone

C17H19ClN2OS — CID 170015234

IUPAC(7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone
SMILESO=C(c1cc2cccc(Cl)c2[nH]1)N1CC2(CCCCC2)CS1
InChIInChI=1S/C17H19ClN2OS/c18-13-6-4-5-12-9-14(19-15(12)13)16(21)20-10-17(11-22-20)7-2-1-3-8-17/h4-6,9,19H,1-3,7-8,10-11H2
InChIKeyBDPYGPFOOCLEHC-UHFFFAOYSA-N
MW334.87 g/mol
LogP4.88
Rot. Bonds1

About (7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone

(7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone (PubChem CID 170015234) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is (7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone.

Molecular Properties

Compound Name(7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone
PubChem CID170015234
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name(7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone
SMILESO=C(c1cc2cccc(Cl)c2[nH]1)N1CC2(CCCCC2)CS1
InChIInChI=1S/C17H19ClN2OS/c18-13-6-4-5-12-9-14(19-15(12)13)16(21)20-10-17(11-22-20)7-2-1-3-8-17/h4-6,9,19H,1-3,7-8,10-11H2
InChIKeyBDPYGPFOOCLEHC-UHFFFAOYSA-N
XLogP4.88
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(7-chloro-1H-indol-2-yl)-[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 162478720
7-chloro-N-cyclohexyl-1H-indole-2-carboxamide
CID 108791623
(3S)-2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide
CID 166611612
2-[[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-(2-oxopiperidin-3-yl)propanenitrile
CID 166749638
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone
CID 157202078
(7-chloro-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576176
5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110110
2-azaspiro[4.5]decan-2-yl-(7-chloro-4-methoxy-1H-indol-2-yl)methanone
CID 167229545
7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide
CID 108791657
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone?
The IUPAC name of (7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone (CID 170015234) is (7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone.
What is the SMILES notation for (7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone?
The canonical SMILES for (7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone is O=C(c1cc2cccc(Cl)c2[nH]1)N1CC2(CCCCC2)CS1.
What is the InChIKey of (7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone?
The InChIKey is BDPYGPFOOCLEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-13-6-4-5-12-9-14(19-15(12)13)16(21)20-10-17(11-22-20)7-2-1-3-8-17/h4-6,9,19H,1-3,7-8,10-11H2.
What are the key properties of (7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone?
(7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone has a molecular weight of 334.87 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1H-indol-2-yl)-(2-thia-3-azaspiro[4.5]decan-3-yl)methanone is sourced from PubChem (CID 170015234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).